Chemical Compound

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

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

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

库存
550 克
纯度
98.1 %

化合物标识与属性

PubChem CID
44316879
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](CC4=CN=CC=C4)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](Cc1cccnc1)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

  • CHEMBL414113
  • BDBM50007953
  • J424.150I
  • pGlu-His-DPal-Ser-Tyr-DPal-Leu-ILys-Pro-DAla-NH2
  • (2S)-N-[(2S)-1-[(2S)-2-{[(1R)-1-carbamoylethyl]carbamoyl}pyrrolidin-1-yl]-1-oxo-6-[(propan-2-yl)amino]hexan-2-yl]-2-[(2R)-2-[(2S)-2-[(2S)-3-hydroxy-2-[(2R)-2-[(2S)-3-(1H-imidazol-4-yl)-2-{[(2S)-5-oxopyrrolidin-2-yl]formamido}propanamido]-3-(pyridin-3-yl)propanamido]propanamido]-3-(4-hydroxyphenyl)propanamido]-3-(pyridin-3-yl)propanamido]-4-methylpentanamide
  • L-pGlu-L-His-3-(3-Pyridyl)-D-Ala-L-Ser-L-Tyr-3-(3-pyridyl)-D-Ala-L-Leu-N6-isopropyl-L-Lys-L-Pro-D-Ala-NH2