Unclassified Organic Compounds

Organic compounds that do not fit into any other organic chemical classification.

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Pepstatin A, Fisher BioReagents

CAS: 26305-03-3 Molecular Formula: C34H63N5O9 Molecular Weight (g/mol): 685.904 InChI Key: FAXGPCHRFPCXOO-WQILDUGRSA-N Synonym: pepstatin a PubChem CID: 131801262 IUPAC Name: (3R,4S)-3-hydroxy-4-[[(2R)-2-[[(3R,4S)-3-hydroxy-6-methyl-4-[[(2S)-3-methyl-2-[[(2S)-3-methyl-2-(3-methylbutanoylamino)butanoyl]amino]butanoyl]amino]heptanoyl]amino]propanoyl]amino]-6-methylheptanoic acid SMILES: CC(C)CC(C(CC(=O)O)O)NC(=O)C(C)NC(=O)CC(C(CC(C)C)NC(=O)C(C(C)C)NC(=O)C(C(C)C)NC(=O)CC(C)C)O

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PubChem CID	131801262
CAS	26305-03-3
Molecular Weight (g/mol)	685.904
SMILES	CC(C)CC(C(CC(=O)O)O)NC(=O)C(C)NC(=O)CC(C(CC(C)C)NC(=O)C(C(C)C)NC(=O)C(C(C)C)NC(=O)CC(C)C)O
Synonym	pepstatin a
IUPAC Name	(3R,4S)-3-hydroxy-4-[[(2R)-2-[[(3R,4S)-3-hydroxy-6-methyl-4-[[(2S)-3-methyl-2-[[(2S)-3-methyl-2-(3-methylbutanoylamino)butanoyl]amino]butanoyl]amino]heptanoyl]amino]propanoyl]amino]-6-methylheptanoic acid
InChI Key	FAXGPCHRFPCXOO-WQILDUGRSA-N
Molecular Formula	C34H63N5O9

Kerosene (Odorless), Fisher Chemical™

CAS: 64742-47-8 MDL Number: MFCD00135561

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Specifications

CAS	64742-47-8
MDL Number	MFCD00135561

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Guanidine Thiocyanate (White Crystalline Powder), Fisher BioReagents™

CAS: 593-84-0 Molecular Formula: C₂H₆N₄S Synonym: Guanidinium Isothiocyanate

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Specifications

CAS	593-84-0
Synonym	Guanidinium Isothiocyanate
Molecular Formula	C₂H₆N₄S

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D-Galactose (White to Off-white Powder), Fisher BioReagents

CAS: 59-23-4 Molecular Formula: C₆H₁₂O₆

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Specifications

CAS	59-23-4
Molecular Formula	C₆H₁₂O₆

Methyl 2-isothiocyanatoacetate, 98%

CAS: 21055-37-8 Molecular Formula: C4H5NO2S Molecular Weight (g/mol): 131.149 MDL Number: MFCD00041119 InChI Key: GOWGDPFDGIPFIK-UHFFFAOYSA-N Synonym: methyl isothiocyanatoacetate,acetic acid, isothiocyanato-, methyl ester,acmc-20akih,propargyl benzene sulphonate,methyl-2-isothiocyanatoacetate,methyl isothiocyanatoacetate #,methyl 2-isothiocyanatoethanoate,methyl n-thioxomethylene glycinate,isothiocyanatoacetic acid methyl ester,2-isothiocyanatoacetic acid methyl ester PubChem CID: 140795 IUPAC Name: methyl 2-isothiocyanatoacetate SMILES: COC(=O)CN=C=S

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Specifications

PubChem CID	140795
CAS	21055-37-8
Molecular Weight (g/mol)	131.149
MDL Number	MFCD00041119
SMILES	COC(=O)CN=C=S
Synonym	methyl isothiocyanatoacetate,acetic acid, isothiocyanato-, methyl ester,acmc-20akih,propargyl benzene sulphonate,methyl-2-isothiocyanatoacetate,methyl isothiocyanatoacetate #,methyl 2-isothiocyanatoethanoate,methyl n-thioxomethylene glycinate,isothiocyanatoacetic acid methyl ester,2-isothiocyanatoacetic acid methyl ester
IUPAC Name	methyl 2-isothiocyanatoacetate
InChI Key	GOWGDPFDGIPFIK-UHFFFAOYSA-N
Molecular Formula	C4H5NO2S

Benorylate, Thermo Scientific Chemicals

CAS: 5003-48-5 Molecular Formula: C17H15NO5 Molecular Weight (g/mol): 313.31 MDL Number: MFCD00864257 InChI Key: FEJKLNWAOXSSNR-UHFFFAOYSA-N Synonym: Benorilate IUPAC Name: 4-acetamidophenyl 2-(acetyloxy)benzoate SMILES: CC(=O)NC1=CC=C(OC(=O)C2=CC=CC=C2OC(C)=O)C=C1

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Specifications

CAS	5003-48-5
Molecular Weight (g/mol)	313.31
MDL Number	MFCD00864257
SMILES	CC(=O)NC1=CC=C(OC(=O)C2=CC=CC=C2OC(C)=O)C=C1
Synonym	Benorilate
IUPAC Name	4-acetamidophenyl 2-(acetyloxy)benzoate
InChI Key	FEJKLNWAOXSSNR-UHFFFAOYSA-N
Molecular Formula	C17H15NO5

N-Fmoc-4-nitro-L-phenylalanine, 98%

CAS: 95753-55-2 Molecular Formula: C24H20N2O6 Molecular Weight (g/mol): 432.43 MDL Number: MFCD00057810 InChI Key: RZRRJPNDKJOLHI-QFIPXVFZSA-N Synonym: fmoc-4-nitro-l-phenylalanine,fmoc-phe 4-no2-oh,fmoc-l-4-no2-phe-oh,fmoc-p-nitro-phe-oh,s-2-9h-fluoren-9-yl methoxy carbonyl amino-3-4-nitrophenyl propanoic acid,n-fmoc-4-nitro-l-phenylalanine,n-9h-fluoren-9-ylmethoxy carbonyl-4-nitro-l-phenylalanine,2s-2-9h-fluoren-9-ylmethoxy carbonyl amino-3-4-nitrophenyl propanoic acid,s-2-9h-fluoren-9-yl methoxy carbonylamino-3-4-nitrophenyl propanoic acid,fmoc-phe no2-oh PubChem CID: 7016054 IUPAC Name: (2S)-2-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)-3-(4-nitrophenyl)propanoic acid SMILES: OC(=O)[C@H](CC1=CC=C(C=C1)[N+]([O-])=O)NC(=O)OCC1C2=CC=CC=C2C2=CC=CC=C12

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Specifications

PubChem CID	7016054
CAS	95753-55-2
Molecular Weight (g/mol)	432.43
MDL Number	MFCD00057810
SMILES	OC(=O)[C@H](CC1=CC=C(C=C1)[N+]([O-])=O)NC(=O)OCC1C2=CC=CC=C2C2=CC=CC=C12
Synonym	fmoc-4-nitro-l-phenylalanine,fmoc-phe 4-no2-oh,fmoc-l-4-no2-phe-oh,fmoc-p-nitro-phe-oh,s-2-9h-fluoren-9-yl methoxy carbonyl amino-3-4-nitrophenyl propanoic acid,n-fmoc-4-nitro-l-phenylalanine,n-9h-fluoren-9-ylmethoxy carbonyl-4-nitro-l-phenylalanine,2s-2-9h-fluoren-9-ylmethoxy carbonyl amino-3-4-nitrophenyl propanoic acid,s-2-9h-fluoren-9-yl methoxy carbonylamino-3-4-nitrophenyl propanoic acid,fmoc-phe no2-oh
IUPAC Name	(2S)-2-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)-3-(4-nitrophenyl)propanoic acid
InChI Key	RZRRJPNDKJOLHI-QFIPXVFZSA-N
Molecular Formula	C24H20N2O6

N-Boc-3-chloro-L-phenylalanine, 95%

CAS: 114873-03-9 Molecular Formula: C14H18ClNO4 Molecular Weight (g/mol): 299.751 MDL Number: MFCD00672515 InChI Key: RCZHBTHQISEPPP-NSHDSACASA-N Synonym: boc-3-chloro-l-phenylalanine,boc-phe 3-cl-oh,boc-l-3-chlorophenylalanine,s-n-boc-3-chlorophenylalanine,boc-l-phe 3-cl-oh,boc-l-3-chlorophe,boc-d-3-chlorophenylalanine,boc-l-3-chloro-phe-oh,s-2-tert-butoxycarbonyl amino-3-3-chlorophenyl propanoic acid,n-boc-3-chloro-l-phenylalanine PubChem CID: 2761465 IUPAC Name: (2S)-3-(3-chlorophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid SMILES: CC(C)(C)OC(=O)NC(CC1=CC(=CC=C1)Cl)C(=O)O

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Specifications

PubChem CID	2761465
CAS	114873-03-9
Molecular Weight (g/mol)	299.751
MDL Number	MFCD00672515
SMILES	CC(C)(C)OC(=O)NC(CC1=CC(=CC=C1)Cl)C(=O)O
Synonym	boc-3-chloro-l-phenylalanine,boc-phe 3-cl-oh,boc-l-3-chlorophenylalanine,s-n-boc-3-chlorophenylalanine,boc-l-phe 3-cl-oh,boc-l-3-chlorophe,boc-d-3-chlorophenylalanine,boc-l-3-chloro-phe-oh,s-2-tert-butoxycarbonyl amino-3-3-chlorophenyl propanoic acid,n-boc-3-chloro-l-phenylalanine
IUPAC Name	(2S)-3-(3-chlorophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
InChI Key	RCZHBTHQISEPPP-NSHDSACASA-N
Molecular Formula	C14H18ClNO4

N-Boc-4-methoxy-D-phenylalanine, 95%

CAS: 68856-96-2 Molecular Formula: C15H21NO5 Molecular Weight (g/mol): 295.335 InChI Key: SLWWWZWJISHVOU-GFCCVEGCSA-N Synonym: boc-d-tyr me-oh,boc-4-methoxy-d-phenylalanine,boc-o-methyl-d-tyrosine,boc-4-methoxy-d-phe-oh,n-boc-4-methoxy-d-phenylalanine,2r-2-tert-butoxycarbonyl amino-3-4-methoxyphenyl propanoic acid,d-tyrosine,n-1,1-dimethylethoxy carbonyl-o-methyl,d-tyrosine, n-1,1-dimethylethoxy carbonyl-o-methyl,boc-l-phe 4-och3-oh,boc-d-phe 4-ome-oh PubChem CID: 7017908 IUPAC Name: (2R)-3-(4-methoxyphenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid SMILES: CC(C)(C)OC(=O)NC(CC1=CC=C(C=C1)OC)C(=O)O

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Specifications

PubChem CID	7017908
CAS	68856-96-2
Molecular Weight (g/mol)	295.335
SMILES	CC(C)(C)OC(=O)NC(CC1=CC=C(C=C1)OC)C(=O)O
Synonym	boc-d-tyr me-oh,boc-4-methoxy-d-phenylalanine,boc-o-methyl-d-tyrosine,boc-4-methoxy-d-phe-oh,n-boc-4-methoxy-d-phenylalanine,2r-2-tert-butoxycarbonyl amino-3-4-methoxyphenyl propanoic acid,d-tyrosine,n-1,1-dimethylethoxy carbonyl-o-methyl,d-tyrosine, n-1,1-dimethylethoxy carbonyl-o-methyl,boc-l-phe 4-och3-oh,boc-d-phe 4-ome-oh
IUPAC Name	(2R)-3-(4-methoxyphenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
InChI Key	SLWWWZWJISHVOU-GFCCVEGCSA-N
Molecular Formula	C15H21NO5

Thermo Scientific Chemicals 4-Borono-L-phenylalanine, 97%

CAS: 76410-58-7 Molecular Formula: C9H12BNO4 Molecular Weight (g/mol): 209.01 MDL Number: MFCD01075172 InChI Key: NFIVJOSXJDORSP-QMMMGPOBSA-N Synonym: 4-borono-l-phenylalanine,s-2-amino-3-4-boronophenyl propanoic acid,4-boronophenylalanine,p-boronophenylalanine,para-boronophenylalanine,10b-bpa,unii-jsm63lv5md,para-borono-l-phenylalanine,l-phe b oh 2,l-4-boronophenylalanine PubChem CID: 150315 IUPAC Name: (2S)-2-amino-3-(4-boronophenyl)propanoic acid SMILES: N[C@@H](CC1=CC=C(C=C1)B(O)O)C(O)=O

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Specifications

PubChem CID	150315
CAS	76410-58-7
Molecular Weight (g/mol)	209.01
MDL Number	MFCD01075172
SMILES	N[C@@H](CC1=CC=C(C=C1)B(O)O)C(O)=O
Synonym	4-borono-l-phenylalanine,s-2-amino-3-4-boronophenyl propanoic acid,4-boronophenylalanine,p-boronophenylalanine,para-boronophenylalanine,10b-bpa,unii-jsm63lv5md,para-borono-l-phenylalanine,l-phe b oh 2,l-4-boronophenylalanine
IUPAC Name	(2S)-2-amino-3-(4-boronophenyl)propanoic acid
InChI Key	NFIVJOSXJDORSP-QMMMGPOBSA-N
Molecular Formula	C9H12BNO4

Nylon rod, 3.18mm (0.125 in.) dia, Thermo Scientific™

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Thermo Scientific™ Azilsartan

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2-Chloro-1,3-dimethylimidazolium tetrafluoroborate, 98+%, Thermo Scientific Chemicals

CAS: 153433-26-2 Molecular Formula: C5H10BClF4N2 Molecular Weight (g/mol): 220.40 MDL Number: MFCD09039291 InChI Key: UPLXKEIRISBKRM-UHFFFAOYSA-N Synonym: CIB IUPAC Name: 2-chloro-1,3-dimethyl-4,5-dihydro-1H-imidazol-3-ium; tetrafluoroboranuide SMILES: F[B-](F)(F)F.CN1CC[N+](C)=C1Cl

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Specifications

CAS	153433-26-2
Molecular Weight (g/mol)	220.40
MDL Number	MFCD09039291
SMILES	F[B-](F)(F)F.CN1CC[N+](C)=C1Cl
Synonym	CIB
IUPAC Name	2-chloro-1,3-dimethyl-4,5-dihydro-1H-imidazol-3-ium; tetrafluoroboranuide
InChI Key	UPLXKEIRISBKRM-UHFFFAOYSA-N
Molecular Formula	C5H10BClF4N2

3-Methyl-2-cyclohexen-1-one, 98%

CAS: 1193-18-6 Molecular Formula: C7H10O Molecular Weight (g/mol): 110.16 MDL Number: MFCD00001581 InChI Key: IITQJMYAYSNIMI-UHFFFAOYSA-N Synonym: 3-methyl-2-cyclohexen-1-one,seudenone,3-methyl-2-cyclohexenone,2-cyclohexen-1-one, 3-methyl,methylcyclohexenone,caswell no. 561ab,fema no. 3360,3-methyl-2-cyclohexene-1-one,epa pesticide chemical code 219700,ghl.pd_mitscher_leg0.699 PubChem CID: 14511 IUPAC Name: 3-methylcyclohex-2-en-1-one SMILES: CC1=CC(=O)CCC1

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Specifications

PubChem CID	14511
CAS	1193-18-6
Molecular Weight (g/mol)	110.16
MDL Number	MFCD00001581
SMILES	CC1=CC(=O)CCC1
Synonym	3-methyl-2-cyclohexen-1-one,seudenone,3-methyl-2-cyclohexenone,2-cyclohexen-1-one, 3-methyl,methylcyclohexenone,caswell no. 561ab,fema no. 3360,3-methyl-2-cyclohexene-1-one,epa pesticide chemical code 219700,ghl.pd_mitscher_leg0.699
IUPAC Name	3-methylcyclohex-2-en-1-one
InChI Key	IITQJMYAYSNIMI-UHFFFAOYSA-N
Molecular Formula	C7H10O

4-(Dimethylamino)pyridine tribromide, 97%

CAS: 92976-81-3 Molecular Formula: C7H10Br3N2- Molecular Weight (g/mol): 361.883 MDL Number: MFCD00043439 InChI Key: TYDZHQMKSLAFKM-UHFFFAOYSA-N Synonym: 4-dimethylamino pyridine hydrobromide perbromide PubChem CID: 131863682 SMILES: CN(C)C1=CC=NC=C1.Br[Br-]Br

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Specifications

PubChem CID	131863682
CAS	92976-81-3
Molecular Weight (g/mol)	361.883
MDL Number	MFCD00043439
SMILES	CN(C)C1=CC=NC=C1.Br[Br-]Br
Synonym	4-dimethylamino pyridine hydrobromide perbromide
InChI Key	TYDZHQMKSLAFKM-UHFFFAOYSA-N
Molecular Formula	C7H10Br3N2-

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