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H3CCH3(S)NHO(R)NHONHNO(S)HNONNHO(S)HOHNO(R)NNHO(R)ClHNO(R)HNH3COOHN(S)NHH3CCH3ON(S)OHN(R)CH3H2NO

CAS RN 112568-12-4

IUPAC Nor: (2S)-N-[(1R)-1-{[(1S)-1-{[(2S)-1-[(2S)-2-{[(1R)-1-carbamoylethyl]carbamoyl}pyrrolidin-1-yl]-1-oxo-6-[(propan-2-yl)amino]hexan-2-yl]carbamoyl}-3-methylbutyl]carbamoyl}-5-[(pyridin-3-yl)formamido]pentyl]-2-[(2S)-2-[(2R)-2-[(2R)-3-(4-chlorophenyl)-2-[(2R)-2-acetamido-3-(naphthalen-2-yl)propanamido]propanamido]-3-(pyridin-3-yl)propanamido]-3-hydroxypropanamido]-6-[(pyridin-3-yl)formamido]hexanamide
Synonymes: (2S)-N-[(1R)-1-{[(1S)-1-{[(2S)-1-[(2S)-2-{[(1R)-1-carbamoylethyl]carbamoyl}pyrrolidin-1-yl]-6-(isopropylamino)-1-oxohexan-2-yl]carbamoyl}-3-methylbutyl]carbamoyl}-5-(pyridin-3-ylformamido)pentyl]-2-[(2S)-2-[(2R)-2-[(2R)-3-(4-chlorophenyl)-2-[(2R)-2-acetamido-3-(naphthalen-2-yl)propanamido]propanamido]-3-(pyridin-3-yl)propanamido]-3-hydroxypropanamido]-6-(pyridin-3-ylformamido)hexanamide
Poids moléculaire (g/mol): 1591.32
Formule moléculaire: C82H108ClN17O14
InChi Key: QRYFGTULTGLGHU-NBERXCRTSA-N
SMILES: CC(C)C[C@H](NC(=O)[C@@H](CCCCNC(=O)C1=CC=CN=C1)NC(=O)[C@H](CCCCNC(=O)C1=CC=CN=C1)NC(=O)[C@H](CO)NC(=O)[C@@H](CC1=CC=CN=C1)NC(=O)[C@@H](CC1=CC=C(Cl)C=C1)NC(=O)[C@@H](CC1=CC=C2C=CC=CC2=C1)NC(C)=O)C(=O)N[C@@H](CCCCNC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@H](C)C(N)=O

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Antide acetate, Thermo Scientific Chemicals

CAS: 112568-12-4 Formule moléculaire: C82H108ClN17O14 Poids moléculaire (g/mol): 1591.32 Numéro MDL: MFCD00133104,MFCD00133104 Clé InChI: QRYFGTULTGLGHU-NBERXCRTSA-N Synonyme: antide,iturelix,antide acetate,nal-lys-gnrh,unii-94055uoq3y,nal-lys-gnrhant,d-alaninamide, n-acetyl-3-2-naphthalenyl-d-alanyl-4-chloro-d-phenylalanyl-3-3-pyridinyl-d-alanyl-l-seryl-n6-3-pyridinylcarbonyl-l-lysyl-n6-3-pyridinylcarbonyl-d-lysyl-l-leucyl-n6-1-methylethyl-l-lysyl-l-prolyl,n-acetyl-3-naphhalen-2-yl-d-alanyl-p-chloro-d-phenylalanyl-3-3-pyridyl-d-alanyl-l-seryl-n sup 6-nicotinyl-l-lysyl-n sup 6-nicotinyl-d-lysyl-l-leucyl-n sup 6-isopropyl-l-lysyl-l-prolyl-d-alaninamide,d-alaninamide, n-acetyl-3-2-naphthalenyl-d-alanyl-4-chloro-d-phenylalanyl-3-3-pyridinyl-d-alanyl-l-seryl-n sup 6-3-pyridinylcarbonyl-l-lysyl-n sup 6-3-pyridinylcarbonyl-d-lysyl-l-leucyl-n sup 6-1-methylethyl-l-lysyl-l-prolyl,iturelix usan:inn CID PubChem: 16130938 Nom IUPAC: (2S)-N-[(1R)-1-{[(1S)-1-{[(2S)-1-[(2S)-2-{[(1R)-1-carbamoylethyl]carbamoyl}pyrrolidin-1-yl]-1-oxo-6-[(propan-2-yl)amino]hexan-2-yl]carbamoyl}-3-methylbutyl]carbamoyl}-5-[(pyridin-3-yl)formamido]pentyl]-2-[(2S)-2-[(2R)-2-[(2R)-3-(4-chlorophenyl)-2-[(2R)-2-acetamido-3-(naphthalen-2-yl)propanamido]propanamido]-3-(pyridin-3-yl)propanamido]-3-hydroxypropanamido]-6-[(pyridin-3-yl)formamido]hexanamide SMILES: CC(C)C[C@H](NC(=O)[C@@H](CCCCNC(=O)C1=CC=CN=C1)NC(=O)[C@H](CCCCNC(=O)C1=CC=CN=C1)NC(=O)[C@H](CO)NC(=O)[C@@H](CC1=CC=CN=C1)NC(=O)[C@@H](CC1=CC=C(Cl)C=C1)NC(=O)[C@@H](CC1=CC=C2C=CC=CC2=C1)NC(C)=O)C(=O)N[C@@H](CCCCNC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@H](C)C(N)=O

Poids moléculaire (g/mol) 1591.32
Synonyme antide,iturelix,antide acetate,nal-lys-gnrh,unii-94055uoq3y,nal-lys-gnrhant,d-alaninamide, n-acetyl-3-2-naphthalenyl-d-alanyl-4-chloro-d-phenylalanyl-3-3-pyridinyl-d-alanyl-l-seryl-n6-3-pyridinylcarbonyl-l-lysyl-n6-3-pyridinylcarbonyl-d-lysyl-l-leucyl-n6-1-methylethyl-l-lysyl-l-prolyl,n-acetyl-3-naphhalen-2-yl-d-alanyl-p-chloro-d-phenylalanyl-3-3-pyridyl-d-alanyl-l-seryl-n sup 6-nicotinyl-l-lysyl-n sup 6-nicotinyl-d-lysyl-l-leucyl-n sup 6-isopropyl-l-lysyl-l-prolyl-d-alaninamide,d-alaninamide, n-acetyl-3-2-naphthalenyl-d-alanyl-4-chloro-d-phenylalanyl-3-3-pyridinyl-d-alanyl-l-seryl-n sup 6-3-pyridinylcarbonyl-l-lysyl-n sup 6-3-pyridinylcarbonyl-d-lysyl-l-leucyl-n sup 6-1-methylethyl-l-lysyl-l-prolyl,iturelix usan:inn
Numéro MDL MFCD00133104,MFCD00133104
CAS 112568-12-4
CID PubChem 16130938
Nom IUPAC (2S)-N-[(1R)-1-{[(1S)-1-{[(2S)-1-[(2S)-2-{[(1R)-1-carbamoylethyl]carbamoyl}pyrrolidin-1-yl]-1-oxo-6-[(propan-2-yl)amino]hexan-2-yl]carbamoyl}-3-methylbutyl]carbamoyl}-5-[(pyridin-3-yl)formamido]pentyl]-2-[(2S)-2-[(2R)-2-[(2R)-3-(4-chlorophenyl)-2-[(2R)-2-acetamido-3-(naphthalen-2-yl)propanamido]propanamido]-3-(pyridin-3-yl)propanamido]-3-hydroxypropanamido]-6-[(pyridin-3-yl)formamido]hexanamide
Clé InChI QRYFGTULTGLGHU-NBERXCRTSA-N
SMILES CC(C)C[C@H](NC(=O)[C@@H](CCCCNC(=O)C1=CC=CN=C1)NC(=O)[C@H](CCCCNC(=O)C1=CC=CN=C1)NC(=O)[C@H](CO)NC(=O)[C@@H](CC1=CC=CN=C1)NC(=O)[C@@H](CC1=CC=C(Cl)C=C1)NC(=O)[C@@H](CC1=CC=C2C=CC=CC2=C1)NC(C)=O)C(=O)N[C@@H](CCCCNC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@H](C)C(N)=O
Formule moléculaire C82H108ClN17O14