Chemical Compound

(2R)-6-(N''-butyl-N'-cyanocarbamimidamido)-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-(N''-butyl-N'-cyanocarbamimidamido)-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-(N''-butyl-N'-cyanocarbamimidamido)-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
44316687
SMILES
CCCCNC(=NCCCC[C@H](C(=O)N[C@@H](CO)C(=O)N[C@@H](CC1=CC=C(C=C1)O)C(=O)N[C@H](CCCN=C(N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCNC(C)C)C(=O)N2CCC[C@H]2C(=O)N[C@H](C)C(=O)N)NC(=O)[C@H](CC3=CN=CN3)NC(=O)[C@@H]4CCC(=O)N4)NC#N
Canonical SMILES
CCCCNC(=NCCCC[C@@H](NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H]1CCC(=O)N1)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](CCCN=C(N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCNC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@H](C)C(N)=O)NC#N

名称与同义词

  • CHEMBL407023
  • BDBM50007954
  • J424.152E
  • pGlu-His-DHar(bCN)-Ser-Tyr-DArg-Leu-ILys-Pro-DAla-NH2
  • (2R)-6-(N''-butyl-N'-cyanocarbamimidamido)-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-[Cyanoamino(butylimino)methyl]-D-Lys-L-Ser-L-Tyr-D-Arg-L-Leu-N6-isopropyl-L-Lys-L-Pro-D-Ala-NH2