Chemical Compound

(2S)-2-[(2R)-2-[(2S)-2-[(2S)-2-[(2R)-5-[(3-amino-1H-1,2,4-triazol-5-yl)amino]-2-[(2S)-3-(1H-imidazol-4-yl)-2-{[(2S)-5-oxopyrrolidin-2-yl]formamido}propanamido]pentanamido]-3-hydroxypropanamido]-3-(4-hydroxyphenyl)propanamido]-3-(pyridin-3-yl)propanamido]-N-[(2S)-1-[(2S)-2-{[(1R)-1-carbamoylethyl]carbamoyl}pyrrolidin-1-yl]-1-oxo-6-[(propan-2-yl)amino]hexan-2-yl]-4-methylpentanamide

(2S)-2-[(2R)-2-[(2S)-2-[(2S)-2-[(2R)-5-[(3-amino-1H-1,2,4-triazol-5-yl)amino]-2-[(2S)-3-(1H-imidazol-4-yl)-2-{[(2S)-5-oxopyrrolidin-2-yl]formamido}propanamido]pentanamido]-3-hydroxypropanamido]-3-(4-hydroxyphenyl)propanamido]-3-(pyridin-3-yl)propanamido]-N-[(2S)-1-[(2S)-2-{[(1R)-1-carbamoylethyl]carbamoyl}pyrrolidin-1-yl]-1-oxo-6-[(propan-2-yl)amino]hexan-2-yl]-4-methylpentanamide 结构式
Primary record

(2S)-2-[(2R)-2-[(2S)-2-[(2S)-2-[(2R)-5-[(3-amino-1H-1,2,4-triazol-5-yl)amino]-2-[(2S)-3-(1H-imidazol-4-yl)-2-{[(2S)-5-oxopyrrolidin-2-yl]formamido}propanamido]pentanamido]-3-hydroxypropanamido]-3-(4-hydroxyphenyl)propanamido]-3-(pyridin-3-yl)propanamido]-N-[(2S)-1-[(2S)-2-{[(1R)-1-carbamoylethyl]carbamoyl}pyrrolidin-1-yl]-1-oxo-6-[(propan-2-yl)amino]hexan-2-yl]-4-methylpentanamide

库存
550 克
纯度
98.1 %

化合物标识与属性

PubChem CID
101609869
SMILES
C[C@H](C(=O)N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCNC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](CC2=CN=CC=C2)NC(=O)[C@H](CC3=CC=C(C=C3)O)NC(=O)[C@H](CO)NC(=O)[C@@H](CCCNC4=NNC(=N4)N)NC(=O)[C@H](CC5=CN=CN5)NC(=O)[C@@H]6CCC(=O)N6
Canonical SMILES
CC(C)C[C@H](NC(=O)[C@@H](Cc1cccnc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@@H](CCCNc1n[nH]c(N)n1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H]1CCC(=O)N1)C(=O)N[C@@H](CCCCNC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@H](C)C(N)=O

名称与同义词

  • J424.159B
  • (2S)-2-[(2R)-2-[(2S)-2-[(2S)-2-[(2R)-5-[(3-amino-1H-1,2,4-triazol-5-yl)amino]-2-[(2S)-3-(1H-imidazol-4-yl)-2-{[(2S)-5-oxopyrrolidin-2-yl]formamido}propanamido]pentanamido]-3-hydroxypropanamido]-3-(4-hydroxyphenyl)propanamido]-3-(pyridin-3-yl)propanamido]-N-[(2S)-1-[(2S)-2-{[(1R)-1-carbamoylethyl]carbamoyl}pyrrolidin-1-yl]-1-oxo-6-[(propan-2-yl)amino]hexan-2-yl]-4-methylpentanamide
  • L-pGlu-L-His-N5-(3-Amino-1H-1,2,4-triazol-5-yl)-D-Orn-L-Ser-L-Tyr-3-(3-pyridyl)-D-Ala-L-Leu-N6-isopropyl-L-Lys-L-Pro-D-Ala-NH2