Chemical Compound

(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-{N'-cyano-N''-[(pyridin-2-yl)methyl]carbamimidamido}pentyl]-6-{N'-cyano-N''-[(pyridin-2-yl)methyl]carbamimidamido}-2-[(2S)-3-hydroxy-2-[(2S)-2-[(2S)-3-(1H-imidazol-4-yl)-2-{[(2S)-5-oxopyrrolidin-2-yl]formamido}propanamido]-3-(1H-indol-3-yl)propanamido]propanamido]hexanamide

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(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-{N'-cyano-N''-[(pyridin-2-yl)methyl]carbamimidamido}pentyl]-6-{N'-cyano-N''-[(pyridin-2-yl)methyl]carbamimidamido}-2-[(2S)-3-hydroxy-2-[(2S)-2-[(2S)-3-(1H-imidazol-4-yl)-2-{[(2S)-5-oxopyrrolidin-2-yl]formamido}propanamido]-3-(1H-indol-3-yl)propanamido]propanamido]hexanamide 结构式
Primary record

(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-{N'-cyano-N''-[(pyridin-2-yl)methyl]carbamimidamido}pentyl]-6-{N'-cyano-N''-[(pyridin-2-yl)methyl]carbamimidamido}-2-[(2S)-3-hydroxy-2-[(2S)-2-[(2S)-3-(1H-imidazol-4-yl)-2-{[(2S)-5-oxopyrrolidin-2-yl]formamido}propanamido]-3-(1H-indol-3-yl)propanamido]propanamido]hexanamide

库存
550 克
纯度
98.1 %

化合物标识与属性

PubChem CID
44317058
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](CCCCNC(=NCC2=CC=CC=N2)NC#N)NC(=O)[C@H](CCCCNC(=NCC3=CC=CC=N3)NC#N)NC(=O)[C@H](CO)NC(=O)[C@H](CC4=CNC5=CC=CC=C54)NC(=O)[C@H](CC6=CN=CN6)NC(=O)[C@@H]7CCC(=O)N7
Canonical SMILES
CC(C)C[C@H](NC(=O)[C@@H](CCCCNC(=NCc1ccccn1)NC#N)NC(=O)[C@H](CCCCNC(=NCc1ccccn1)NC#N)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1c[nH]c2ccccc12)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

  • CHEMBL269583
  • BDBM50007947
  • J424.146K
  • pGlu-His-Trp-Ser-Har(2mpCN)-DHar(2mpCN)-Leu-ILys-Pro-DAla-NH2
  • (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-{N'-cyano-N''-[(pyridin-2-yl)methyl]carbamimidamido}pentyl]-6-{N'-cyano-N''-[(pyridin-2-yl)methyl]carbamimidamido}-2-[(2S)-3-hydroxy-2-[(2S)-2-[(2S)-3-(1H-imidazol-4-yl)-2-{[(2S)-5-oxopyrrolidin-2-yl]formamido}propanamido]-3-(1H-indol-3-yl)propanamido]propanamido]hexanamide
  • L-pGlu-L-His-L-Trp-L-Ser-N6-[Cyanoamino(2-pyridylmethylimino)methyl]-L-Lys-N6-[cyanoamino(2-pyridylmethylimino)methyl]-D-Lys-L-Leu-N6-isopropyl-L-Lys-L-Pro-D-Ala-NH2