Organic compounds
Organic compounds are a class of chemical compounds that contain one or more atoms of carbon covalently bonded to each other and atoms of other elements such as hydrogen, oxygen, nitrogen, sulfur, etc.
Compounds or allotropes of carbon that contain only carbon atoms are classified as inorganic compounds and exhibit novel properties.
This class of chemicals has a wide range of applications and includes graphite, diamond, and the more recently discovered graphene, fullerenes, and other carbon nanotubes. In fact, the majority of elements in the periodic table of elements are inorganic compounds.
Filtered Search Results
Tamoxifen, MP Biomedicals
CAS: 10540-29-1 Molecular Formula: C26H29NO Molecular Weight (g/mol): 371.52 MDL Number: MFCD00010454 InChI Key: NKANXQFJJICGDU-QPLCGJKRSA-N PubChem CID: 2733526 ChEBI: CHEBI:41774 SMILES: CC\C(=C(/C1=CC=CC=C1)C1=CC=C(OCCN(C)C)C=C1)C1=CC=CC=C1
| PubChem CID | 2733526 |
|---|---|
| CAS | 10540-29-1 |
| Molecular Weight (g/mol) | 371.52 |
| ChEBI | CHEBI:41774 |
| MDL Number | MFCD00010454 |
| SMILES | CC\C(=C(/C1=CC=CC=C1)C1=CC=C(OCCN(C)C)C=C1)C1=CC=CC=C1 |
| InChI Key | NKANXQFJJICGDU-QPLCGJKRSA-N |
| Molecular Formula | C26H29NO |
Etoposide, MP Biomedicals
CAS: 33419-42-0 Molecular Formula: C29H32O13 Molecular Weight (g/mol): 588.56 MDL Number: MFCD00869325,MFCD00869325 InChI Key: VJJPUSNTGOMMGY-MRVIYFEKSA-N Synonym: vjjpusntgommgy-nzlmilqcsa PubChem CID: 50936917 SMILES: COC1=CC(=CC(OC)=C1O)[C@H]1[C@@H]2[C@H](COC2=O)[C@H](O[C@@H]2O[C@@H]3CO[C@@H](C)O[C@H]3[C@H](O)[C@H]2O)C2=CC3=C(OCO3)C=C12
| PubChem CID | 50936917 |
|---|---|
| CAS | 33419-42-0 |
| Molecular Weight (g/mol) | 588.56 |
| MDL Number | MFCD00869325,MFCD00869325 |
| SMILES | COC1=CC(=CC(OC)=C1O)[C@H]1[C@@H]2[C@H](COC2=O)[C@H](O[C@@H]2O[C@@H]3CO[C@@H](C)O[C@H]3[C@H](O)[C@H]2O)C2=CC3=C(OCO3)C=C12 |
| Synonym | vjjpusntgommgy-nzlmilqcsa |
| InChI Key | VJJPUSNTGOMMGY-MRVIYFEKSA-N |
| Molecular Formula | C29H32O13 |
Diamide, MP Biomedicals
CAS: 10465-78-8 Molecular Formula: C6H12N4O2 Molecular Weight (g/mol): 172.188 MDL Number: MFCD00008318 InChI Key: VLSDXINSOMDCBK-BQYQJAHWSA-N Synonym: diamide,n,n,n',n'-tetramethylazodicarboxamide,tmad,1,1'-azobis n,n-dimethylformamide,tetramethyldiazenedicarboxamide,diazenedicarboxamide, tetramethyl,n,n,n',n'-tetramethylazoformamide,diazenedicarboxylic acid bis n,n-dimethylamide,n,n,n',n'-tetramethylazobisformamide,tetramethylazodicarboxamide PubChem CID: 5353800 ChEBI: CHEBI:48963 IUPAC Name: (3E)-3-(dimethylcarbamoylimino)-1,1-dimethylurea SMILES: CN(C)C(=O)N=NC(=O)N(C)C
| PubChem CID | 5353800 |
|---|---|
| CAS | 10465-78-8 |
| Molecular Weight (g/mol) | 172.188 |
| ChEBI | CHEBI:48963 |
| MDL Number | MFCD00008318 |
| SMILES | CN(C)C(=O)N=NC(=O)N(C)C |
| Synonym | diamide,n,n,n',n'-tetramethylazodicarboxamide,tmad,1,1'-azobis n,n-dimethylformamide,tetramethyldiazenedicarboxamide,diazenedicarboxamide, tetramethyl,n,n,n',n'-tetramethylazoformamide,diazenedicarboxylic acid bis n,n-dimethylamide,n,n,n',n'-tetramethylazobisformamide,tetramethylazodicarboxamide |
| IUPAC Name | (3E)-3-(dimethylcarbamoylimino)-1,1-dimethylurea |
| InChI Key | VLSDXINSOMDCBK-BQYQJAHWSA-N |
| Molecular Formula | C6H12N4O2 |
Polyvinylpyrrolidone, MP Biomedicals
CAS: 9003-39-8 Molecular Formula: (C6H9NO)n Molecular Weight (g/mol): 111.14 MDL Number: MFCD01076626 InChI Key: WHNWPMSKXPGLAX-UHFFFAOYSA-N Synonym: n-vinyl-2-pyrrolidone,n-vinylpyrrolidone,1-vinyl-2-pyrrolidone,1-vinylpyrrolidin-2-one,n-vinyl-2-pyrrolidinone,vinylpyrrolidone,2-pyrrolidinone, 1-ethenyl,1-vinyl-2-pyrrolidinone,n-vinylpyrrolidinone,1-vinylpyrrolidone PubChem CID: 6917 ChEBI: CHEBI:82551 IUPAC Name: 1-ethenylpyrrolidin-2-one SMILES: *-CC(-*)N1CCCC1=O
| PubChem CID | 6917 |
|---|---|
| CAS | 9003-39-8 |
| Molecular Weight (g/mol) | 111.14 |
| ChEBI | CHEBI:82551 |
| MDL Number | MFCD01076626 |
| SMILES | *-CC(-*)N1CCCC1=O |
| Synonym | n-vinyl-2-pyrrolidone,n-vinylpyrrolidone,1-vinyl-2-pyrrolidone,1-vinylpyrrolidin-2-one,n-vinyl-2-pyrrolidinone,vinylpyrrolidone,2-pyrrolidinone, 1-ethenyl,1-vinyl-2-pyrrolidinone,n-vinylpyrrolidinone,1-vinylpyrrolidone |
| IUPAC Name | 1-ethenylpyrrolidin-2-one |
| InChI Key | WHNWPMSKXPGLAX-UHFFFAOYSA-N |
| Molecular Formula | (C6H9NO)n |
Paraformaldehyde MP Biomedicals
CAS: 30525-89-4 Molecular Formula: CH2O Molecular Weight (g/mol): 30.026 InChI Key: WSFSSNUMVMOOMR-UHFFFAOYSA-N Synonym: formalin,methanal,formol,methylene oxide,paraformaldehyde,oxomethane,paraform,formic aldehyde,oxymethylene,methyl aldehyde PubChem CID: 712 ChEBI: CHEBI:16842 IUPAC Name: formaldehyde SMILES: C=O
| PubChem CID | 712 |
|---|---|
| CAS | 30525-89-4 |
| Molecular Weight (g/mol) | 30.026 |
| ChEBI | CHEBI:16842 |
| SMILES | C=O |
| Synonym | formalin,methanal,formol,methylene oxide,paraformaldehyde,oxomethane,paraform,formic aldehyde,oxymethylene,methyl aldehyde |
| IUPAC Name | formaldehyde |
| InChI Key | WSFSSNUMVMOOMR-UHFFFAOYSA-N |
| Molecular Formula | CH2O |
Metronidazole MP Biomedicals
CAS: 443-48-1 Molecular Formula: C6H9N3O3 Molecular Weight (g/mol): 171.156 InChI Key: VAOCPAMSLUNLGC-UHFFFAOYSA-N Synonym: metronidazole,metronidazol,flagyl,2-methyl-5-nitroimidazole-1-ethanol,anagiardil,trichazol,gineflavir,meronidal,metronidaz,novonidazol PubChem CID: 4173 ChEBI: CHEBI:6909 IUPAC Name: 2-(2-methyl-5-nitroimidazol-1-yl)ethanol SMILES: CC1=NC=C(N1CCO)[N+](=O)[O-]
| PubChem CID | 4173 |
|---|---|
| CAS | 443-48-1 |
| Molecular Weight (g/mol) | 171.156 |
| ChEBI | CHEBI:6909 |
| SMILES | CC1=NC=C(N1CCO)[N+](=O)[O-] |
| Synonym | metronidazole,metronidazol,flagyl,2-methyl-5-nitroimidazole-1-ethanol,anagiardil,trichazol,gineflavir,meronidal,metronidaz,novonidazol |
| IUPAC Name | 2-(2-methyl-5-nitroimidazol-1-yl)ethanol |
| InChI Key | VAOCPAMSLUNLGC-UHFFFAOYSA-N |
| Molecular Formula | C6H9N3O3 |
Polyethyleneimine, MP Biomedicals
CAS: 9002-98-6 Molecular Formula: ((C2H5N)zC2H4N)y(C2H5N)x Molecular Weight (g/mol): 43.07 MDL Number: MFCD00084427 InChI Key: NOWKCMXCCJGMRR-UHFFFAOYSA-N Synonym: ethyleneimine,ethylenimine,azacyclopropane,dimethyleneimine,ethylene imine,polyethyleneimine,dihydroazirene,everamine,aziran,polymin PubChem CID: 9033 ChEBI: CHEBI:30969 IUPAC Name: aziridine SMILES: *-CCNCCN(-*)CCN-*
| PubChem CID | 9033 |
|---|---|
| CAS | 9002-98-6 |
| Molecular Weight (g/mol) | 43.07 |
| ChEBI | CHEBI:30969 |
| MDL Number | MFCD00084427 |
| SMILES | *-CCNCCN(-*)CCN-* |
| Synonym | ethyleneimine,ethylenimine,azacyclopropane,dimethyleneimine,ethylene imine,polyethyleneimine,dihydroazirene,everamine,aziran,polymin |
| IUPAC Name | aziridine |
| InChI Key | NOWKCMXCCJGMRR-UHFFFAOYSA-N |
| Molecular Formula | ((C2H5N)zC2H4N)y(C2H5N)x |
Polyacrylonitrile, MP Biomedicals
CAS: 25014-41-9 Molecular Formula: C3H3N Molecular Weight (g/mol): 53.064 InChI Key: NLHHRLWOUZZQLW-UHFFFAOYSA-N Synonym: acrylonitrile,2-propenenitrile,vinyl cyanide,propenenitrile,cyanoethylene,carbacryl,fumigrain,acritet,acrylon,ventox PubChem CID: 7855 ChEBI: CHEBI:28217 IUPAC Name: prop-2-enenitrile SMILES: C=CC#N
| PubChem CID | 7855 |
|---|---|
| CAS | 25014-41-9 |
| Molecular Weight (g/mol) | 53.064 |
| ChEBI | CHEBI:28217 |
| SMILES | C=CC#N |
| Synonym | acrylonitrile,2-propenenitrile,vinyl cyanide,propenenitrile,cyanoethylene,carbacryl,fumigrain,acritet,acrylon,ventox |
| IUPAC Name | prop-2-enenitrile |
| InChI Key | NLHHRLWOUZZQLW-UHFFFAOYSA-N |
| Molecular Formula | C3H3N |
Dextran, MP Biomedicals™
CAS: 9004-54-0 Molecular Formula: (C6H9O5)n(C6H10O5)m Molecular Weight (g/mol): 504.44 MDL Number: MFCD00130935 InChI Key: FZWBNHMXJMCXLU-UHFFFAOYNA-N Synonym: dextran,dextran, mw-86.000 aver.,2,3,4,5-tetrahydroxy-6-3,4,5-trihydroxy-6-3,4,5-trihydroxy-6-hydroxymethyl tetrahydro-2h-pyran-2-yl oxy methyl tetrahydro-2h-pyran-2-yl oxy hexanal,2,3,4,5-tetrahydroxy-6-3,4,5-trihydroxy-6-3,4,5-trihydroxy-6-hydroxymethyl oxan-2-yl oxymethyl oxan-2-yl oxyhexanal,2,3,4,5-tetrahydroxy-6-3,4,5-trihydroxy-6-3,4,5-trihydroxy-6-hydroxymethyl tetrahydropyran-2-yl oxymethyl tetrahydropyran-2-yl oxy-hexanal PubChem CID: 4125253 IUPAC Name: 2,3,4,5-tetrahydroxy-6-[3,4,5-trihydroxy-6-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxyhexanal SMILES: O[C@@H]1[C@@H](O)[C@@H](-*)O[C@H](CO[C@H]2O[C@H](CO-*)[C@@H](O)[C@H](O-*)[C@H]2O)[C@H]1O
| PubChem CID | 4125253 |
|---|---|
| CAS | 9004-54-0 |
| Molecular Weight (g/mol) | 504.44 |
| MDL Number | MFCD00130935 |
| SMILES | O[C@@H]1[C@@H](O)[C@@H](-*)O[C@H](CO[C@H]2O[C@H](CO-*)[C@@H](O)[C@H](O-*)[C@H]2O)[C@H]1O |
| Synonym | dextran,dextran, mw-86.000 aver.,2,3,4,5-tetrahydroxy-6-3,4,5-trihydroxy-6-3,4,5-trihydroxy-6-hydroxymethyl tetrahydro-2h-pyran-2-yl oxy methyl tetrahydro-2h-pyran-2-yl oxy hexanal,2,3,4,5-tetrahydroxy-6-3,4,5-trihydroxy-6-3,4,5-trihydroxy-6-hydroxymethyl oxan-2-yl oxymethyl oxan-2-yl oxyhexanal,2,3,4,5-tetrahydroxy-6-3,4,5-trihydroxy-6-3,4,5-trihydroxy-6-hydroxymethyl tetrahydropyran-2-yl oxymethyl tetrahydropyran-2-yl oxy-hexanal |
| IUPAC Name | 2,3,4,5-tetrahydroxy-6-[3,4,5-trihydroxy-6-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxyhexanal |
| InChI Key | FZWBNHMXJMCXLU-UHFFFAOYNA-N |
| Molecular Formula | (C6H9O5)n(C6H10O5)m |
Genistein, MP Biomedicals™
CAS: 446-72-0 Molecular Formula: C15H10O5 Molecular Weight (g/mol): 270.24 MDL Number: MFCD00016952 InChI Key: TZBJGXHYKVUXJN-UHFFFAOYSA-N Synonym: genistein,prunetol,genisteol,4',5,7-trihydroxyisoflavone,genisterin,sophoricol,5,7,4'-trihydroxyisoflavone,bonistein,5,7-dihydroxy-3-4-hydroxyphenyl-4h-chromen-4-one,genestein PubChem CID: 5280961 ChEBI: CHEBI:28088 IUPAC Name: 5,7-dihydroxy-3-(4-hydroxyphenyl)-4H-chromen-4-one SMILES: OC1=CC=C(C=C1)C1=COC2=CC(O)=CC(O)=C2C1=O
| PubChem CID | 5280961 |
|---|---|
| CAS | 446-72-0 |
| Molecular Weight (g/mol) | 270.24 |
| ChEBI | CHEBI:28088 |
| MDL Number | MFCD00016952 |
| SMILES | OC1=CC=C(C=C1)C1=COC2=CC(O)=CC(O)=C2C1=O |
| Synonym | genistein,prunetol,genisteol,4',5,7-trihydroxyisoflavone,genisterin,sophoricol,5,7,4'-trihydroxyisoflavone,bonistein,5,7-dihydroxy-3-4-hydroxyphenyl-4h-chromen-4-one,genestein |
| IUPAC Name | 5,7-dihydroxy-3-(4-hydroxyphenyl)-4H-chromen-4-one |
| InChI Key | TZBJGXHYKVUXJN-UHFFFAOYSA-N |
| Molecular Formula | C15H10O5 |
Nimodipine, MP Biomedicals™
CAS: 66085-59-4 Molecular Formula: C21H26N2O7 Molecular Weight (g/mol): 418.45 MDL Number: MFCD00153848 InChI Key: UIAGMCDKSXEBJQ-UHFFFAOYNA-N Synonym: nimodipine,nimotop,periplum,nimodipino,nimodipinum,nymalize,admon,nimodipinum inn-latin,nimodipino inn-spanish,isopropyl 2-methoxyethyl 1,4-dihydro-2,6-dimethyl-4-m-nitrophenyl-3,5-pyridinedicarboxylate PubChem CID: 4497 ChEBI: CHEBI:7575 IUPAC Name: 3-(2-methoxyethyl) 5-propan-2-yl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate SMILES: COCCOC(=O)C1=C(C)NC(C)=C(C1C1=CC=CC(=C1)[N+]([O-])=O)C(=O)OC(C)C
| PubChem CID | 4497 |
|---|---|
| CAS | 66085-59-4 |
| Molecular Weight (g/mol) | 418.45 |
| ChEBI | CHEBI:7575 |
| MDL Number | MFCD00153848 |
| SMILES | COCCOC(=O)C1=C(C)NC(C)=C(C1C1=CC=CC(=C1)[N+]([O-])=O)C(=O)OC(C)C |
| Synonym | nimodipine,nimotop,periplum,nimodipino,nimodipinum,nymalize,admon,nimodipinum inn-latin,nimodipino inn-spanish,isopropyl 2-methoxyethyl 1,4-dihydro-2,6-dimethyl-4-m-nitrophenyl-3,5-pyridinedicarboxylate |
| IUPAC Name | 3-(2-methoxyethyl) 5-propan-2-yl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate |
| InChI Key | UIAGMCDKSXEBJQ-UHFFFAOYNA-N |
| Molecular Formula | C21H26N2O7 |
Leupeptin Hydrochloride, MP Biomedicals
CAS: 24125-16-4 Molecular Formula: C20H39ClN6O4 Molecular Weight (g/mol): 463.02 InChI Key: OQQYPQNFLLAILR-UHFFFAOYSA-N Synonym: leupeptin hydrochloride,n-5-carbamimidamido-1-oxopentan-2-yl-2-2-acetamido-4-methylpentanamido-4-methylpentanamide hydrochloride,acetyl-leu-leu-arg-al nieani,leupeptin hydrochloride, microbial hplc,n-acetylleucyl-n-5-diaminomethylidene amino-1-oxopentan-2-yl leucinamide-hydrogen chloride 1/1 PubChem CID: 16219551 IUPAC Name: 2-acetamido-N-[1-[[5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]-4-methylpentanamide;hydrochloride SMILES: CC(C)CC(C(=O)NC(CC(C)C)C(=O)NC(CCCN=C(N)N)C=O)NC(=O)C.Cl
| PubChem CID | 16219551 |
|---|---|
| CAS | 24125-16-4 |
| Molecular Weight (g/mol) | 463.02 |
| SMILES | CC(C)CC(C(=O)NC(CC(C)C)C(=O)NC(CCCN=C(N)N)C=O)NC(=O)C.Cl |
| Synonym | leupeptin hydrochloride,n-5-carbamimidamido-1-oxopentan-2-yl-2-2-acetamido-4-methylpentanamido-4-methylpentanamide hydrochloride,acetyl-leu-leu-arg-al nieani,leupeptin hydrochloride, microbial hplc,n-acetylleucyl-n-5-diaminomethylidene amino-1-oxopentan-2-yl leucinamide-hydrogen chloride 1/1 |
| IUPAC Name | 2-acetamido-N-[1-[[5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]-4-methylpentanamide;hydrochloride |
| InChI Key | OQQYPQNFLLAILR-UHFFFAOYSA-N |
| Molecular Formula | C20H39ClN6O4 |
Casein, (Purified), MP Biomedicals
CAS: 9000-71-9 Molecular Formula: C81H125N22O39P Molecular Weight (g/mol): 2061.98 MDL Number: MFCD00081481 InChI Key: BECPQYXYKAMYBN-UHFFFAOYNA-N Synonym: casein,caseinogen,casein, tech.,bovine beta-casein monophosphopeptide PubChem CID: 73995022 IUPAC Name: 6-amino-2-{[2-({2-[(2-{[2-({2-[(2-{[2-({2-[(2-{[2-({2-[(2-{[2-({2-[(2-amino-1-hydroxy-3-phenylpropylidene)amino]-1-hydroxy-4-(C-hydroxycarbonimidoyl)butylidene}amino)-1-hydroxy-3-(phosphonooxy)propylidene]amino}-4-carboxy-1-hydroxybutylidene)amino]-4-carboxy-1-hydroxybutylidene}amino)-1-hydroxy-4-(C-hydroxycarbonimidoyl)butylidene]amino}-1-hydroxy-4-(C-hydroxycarbonimidoyl)butylidene)amino]-1-hydroxy-4-(C-hydroxycarbonimidoyl)butylidene}amino)-1,3-dihydroxybutylidene]amino}-4-carboxy-1-hydroxybutylidene)amino]-3-carboxy-1-hydroxypropylidene}amino)-4-carboxy-1-hydroxybutylidene]amino}-1-hydroxy-4-methylpentylidene)amino]-1-hydroxy-4-(C-hydroxycarbonimidoyl)butylidene}amino)-3-carboxy-1-hydroxypropylidene]amino}hexanoic acid SMILES: CC(C)CC(N=C(O)C(CCC(O)=O)N=C(O)C(CC(O)=O)N=C(O)C(CCC(O)=O)N=C(O)C(N=C(O)C(CCC(O)=N)N=C(O)C(CCC(O)=N)N=C(O)C(CCC(O)=N)N=C(O)C(CCC(O)=O)N=C(O)C(CCC(O)=O)N=C(O)C(COP(O)(O)=O)N=C(O)C(CCC(O)=N)N=C(O)C(N)CC1=CC=CC=C1)C(C)O)C(O)=NC(CCC(O)=N)C(O)=NC(CC(O)=O)C(O)=NC(CCCCN)C(O)=O
| PubChem CID | 73995022 |
|---|---|
| CAS | 9000-71-9 |
| Molecular Weight (g/mol) | 2061.98 |
| MDL Number | MFCD00081481 |
| SMILES | CC(C)CC(N=C(O)C(CCC(O)=O)N=C(O)C(CC(O)=O)N=C(O)C(CCC(O)=O)N=C(O)C(N=C(O)C(CCC(O)=N)N=C(O)C(CCC(O)=N)N=C(O)C(CCC(O)=N)N=C(O)C(CCC(O)=O)N=C(O)C(CCC(O)=O)N=C(O)C(COP(O)(O)=O)N=C(O)C(CCC(O)=N)N=C(O)C(N)CC1=CC=CC=C1)C(C)O)C(O)=NC(CCC(O)=N)C(O)=NC(CC(O)=O)C(O)=NC(CCCCN)C(O)=O |
| Synonym | casein,caseinogen,casein, tech.,bovine beta-casein monophosphopeptide |
| IUPAC Name | 6-amino-2-{[2-({2-[(2-{[2-({2-[(2-{[2-({2-[(2-{[2-({2-[(2-{[2-({2-[(2-amino-1-hydroxy-3-phenylpropylidene)amino]-1-hydroxy-4-(C-hydroxycarbonimidoyl)butylidene}amino)-1-hydroxy-3-(phosphonooxy)propylidene]amino}-4-carboxy-1-hydroxybutylidene)amino]-4-carboxy-1-hydroxybutylidene}amino)-1-hydroxy-4-(C-hydroxycarbonimidoyl)butylidene]amino}-1-hydroxy-4-(C-hydroxycarbonimidoyl)butylidene)amino]-1-hydroxy-4-(C-hydroxycarbonimidoyl)butylidene}amino)-1,3-dihydroxybutylidene]amino}-4-carboxy-1-hydroxybutylidene)amino]-3-carboxy-1-hydroxypropylidene}amino)-4-carboxy-1-hydroxybutylidene]amino}-1-hydroxy-4-methylpentylidene)amino]-1-hydroxy-4-(C-hydroxycarbonimidoyl)butylidene}amino)-3-carboxy-1-hydroxypropylidene]amino}hexanoic acid |
| InChI Key | BECPQYXYKAMYBN-UHFFFAOYNA-N |
| Molecular Formula | C81H125N22O39P |
Casein, ('Purified), MP Biomedicals
CAS: 9000-71-9 Molecular Formula: C81H125N22O39P Molecular Weight (g/mol): 2061.98 MDL Number: MFCD00081481 InChI Key: BECPQYXYKAMYBN-UHFFFAOYNA-N Synonym: casein,caseinogen,casein, tech.,bovine beta-casein monophosphopeptide PubChem CID: 73995022 IUPAC Name: 6-amino-2-{[2-({2-[(2-{[2-({2-[(2-{[2-({2-[(2-{[2-({2-[(2-{[2-({2-[(2-amino-1-hydroxy-3-phenylpropylidene)amino]-1-hydroxy-4-(C-hydroxycarbonimidoyl)butylidene}amino)-1-hydroxy-3-(phosphonooxy)propylidene]amino}-4-carboxy-1-hydroxybutylidene)amino]-4-carboxy-1-hydroxybutylidene}amino)-1-hydroxy-4-(C-hydroxycarbonimidoyl)butylidene]amino}-1-hydroxy-4-(C-hydroxycarbonimidoyl)butylidene)amino]-1-hydroxy-4-(C-hydroxycarbonimidoyl)butylidene}amino)-1,3-dihydroxybutylidene]amino}-4-carboxy-1-hydroxybutylidene)amino]-3-carboxy-1-hydroxypropylidene}amino)-4-carboxy-1-hydroxybutylidene]amino}-1-hydroxy-4-methylpentylidene)amino]-1-hydroxy-4-(C-hydroxycarbonimidoyl)butylidene}amino)-3-carboxy-1-hydroxypropylidene]amino}hexanoic acid SMILES: CC(C)CC(N=C(O)C(CCC(O)=O)N=C(O)C(CC(O)=O)N=C(O)C(CCC(O)=O)N=C(O)C(N=C(O)C(CCC(O)=N)N=C(O)C(CCC(O)=N)N=C(O)C(CCC(O)=N)N=C(O)C(CCC(O)=O)N=C(O)C(CCC(O)=O)N=C(O)C(COP(O)(O)=O)N=C(O)C(CCC(O)=N)N=C(O)C(N)CC1=CC=CC=C1)C(C)O)C(O)=NC(CCC(O)=N)C(O)=NC(CC(O)=O)C(O)=NC(CCCCN)C(O)=O
| PubChem CID | 73995022 |
|---|---|
| CAS | 9000-71-9 |
| Molecular Weight (g/mol) | 2061.98 |
| MDL Number | MFCD00081481 |
| SMILES | CC(C)CC(N=C(O)C(CCC(O)=O)N=C(O)C(CC(O)=O)N=C(O)C(CCC(O)=O)N=C(O)C(N=C(O)C(CCC(O)=N)N=C(O)C(CCC(O)=N)N=C(O)C(CCC(O)=N)N=C(O)C(CCC(O)=O)N=C(O)C(CCC(O)=O)N=C(O)C(COP(O)(O)=O)N=C(O)C(CCC(O)=N)N=C(O)C(N)CC1=CC=CC=C1)C(C)O)C(O)=NC(CCC(O)=N)C(O)=NC(CC(O)=O)C(O)=NC(CCCCN)C(O)=O |
| Synonym | casein,caseinogen,casein, tech.,bovine beta-casein monophosphopeptide |
| IUPAC Name | 6-amino-2-{[2-({2-[(2-{[2-({2-[(2-{[2-({2-[(2-{[2-({2-[(2-{[2-({2-[(2-amino-1-hydroxy-3-phenylpropylidene)amino]-1-hydroxy-4-(C-hydroxycarbonimidoyl)butylidene}amino)-1-hydroxy-3-(phosphonooxy)propylidene]amino}-4-carboxy-1-hydroxybutylidene)amino]-4-carboxy-1-hydroxybutylidene}amino)-1-hydroxy-4-(C-hydroxycarbonimidoyl)butylidene]amino}-1-hydroxy-4-(C-hydroxycarbonimidoyl)butylidene)amino]-1-hydroxy-4-(C-hydroxycarbonimidoyl)butylidene}amino)-1,3-dihydroxybutylidene]amino}-4-carboxy-1-hydroxybutylidene)amino]-3-carboxy-1-hydroxypropylidene}amino)-4-carboxy-1-hydroxybutylidene]amino}-1-hydroxy-4-methylpentylidene)amino]-1-hydroxy-4-(C-hydroxycarbonimidoyl)butylidene}amino)-3-carboxy-1-hydroxypropylidene]amino}hexanoic acid |
| InChI Key | BECPQYXYKAMYBN-UHFFFAOYNA-N |
| Molecular Formula | C81H125N22O39P |