Chemical Compound

(2R)-6-[(3-amino-1H-1,2,4-triazol-5-yl)amino]-N-[(1S)-1-{[(1S)-1-{[(1R)-4-carbamimidamido-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}butyl]carbamoyl}-2-(4-hydroxyphenyl)ethyl]carbamoyl}-2-hydroxyethyl]-2-[(2S)-3-(1H-imidazol-4-yl)-2-{[(2S)-5-oxopyrrolidin-2-yl]formamido}propanamido]hexanamide

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(2R)-6-[(3-amino-1H-1,2,4-triazol-5-yl)amino]-N-[(1S)-1-{[(1S)-1-{[(1R)-4-carbamimidamido-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}butyl]carbamoyl}-2-(4-hydroxyphenyl)ethyl]carbamoyl}-2-hydroxyethyl]-2-[(2S)-3-(1H-imidazol-4-yl)-2-{[(2S)-5-oxopyrrolidin-2-yl]formamido}propanamido]hexanamide 结构式
Primary record

(2R)-6-[(3-amino-1H-1,2,4-triazol-5-yl)amino]-N-[(1S)-1-{[(1S)-1-{[(1R)-4-carbamimidamido-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}butyl]carbamoyl}-2-(4-hydroxyphenyl)ethyl]carbamoyl}-2-hydroxyethyl]-2-[(2S)-3-(1H-imidazol-4-yl)-2-{[(2S)-5-oxopyrrolidin-2-yl]formamido}propanamido]hexanamide

库存
550 克
纯度
98.1 %

化合物标识与属性

PubChem CID
44316898
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](CCCN=C(N)N)NC(=O)[C@H](CC2=CC=C(C=C2)O)NC(=O)[C@H](CO)NC(=O)[C@@H](CCCCNC3=NNC(=N3)N)NC(=O)[C@H](CC4=CN=CN4)NC(=O)[C@@H]5CCC(=O)N5
Canonical SMILES
CC(C)C[C@H](NC(=O)[C@@H](CCCN=C(N)N)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@@H](CCCCNc1n[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

  • CHEMBL218396
  • BDBM50007955
  • J424.157F
  • pGlu-His-DLys(atz)-Ser-Tyr-DArg-Leu-ILys-Pro-DAla-NH2
  • (2R)-6-[(3-amino-1H-1,2,4-triazol-5-yl)amino]-N-[(1S)-1-{[(1S)-1-{[(1R)-4-carbamimidamido-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}butyl]carbamoyl}-2-(4-hydroxyphenyl)ethyl]carbamoyl}-2-hydroxyethyl]-2-[(2S)-3-(1H-imidazol-4-yl)-2-{[(2S)-5-oxopyrrolidin-2-yl]formamido}propanamido]hexanamide
  • L-pGlu-L-His-N6-(3-Amino-1H-1,2,4-triazol-5-yl)-D-Lys-L-Ser-L-Tyr-D-Arg-L-Leu-N6-isopropyl-L-Lys-L-Pro-D-Ala-NH2