Chemical Compound

(2S)-N-[(1R)-1-{[(1S)-1-{[(2S)-6-(N''-butyl-N'-cyanocarbamimidamido)-1-[(2S)-2-{[(1R)-1-carbamoylethyl]carbamoyl}pyrrolidin-1-yl]-1-oxohexan-2-yl]carbamoyl}-3-methylbutyl]carbamoyl}-5-[(pyridin-3-yl)formamido]pentyl]-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]-6-[(pyridin-3-yl)formamido]hexanamide

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(2S)-N-[(1R)-1-{[(1S)-1-{[(2S)-6-(N''-butyl-N'-cyanocarbamimidamido)-1-[(2S)-2-{[(1R)-1-carbamoylethyl]carbamoyl}pyrrolidin-1-yl]-1-oxohexan-2-yl]carbamoyl}-3-methylbutyl]carbamoyl}-5-[(pyridin-3-yl)formamido]pentyl]-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]-6-[(pyridin-3-yl)formamido]hexanamide 结构式
Primary record

(2S)-N-[(1R)-1-{[(1S)-1-{[(2S)-6-(N''-butyl-N'-cyanocarbamimidamido)-1-[(2S)-2-{[(1R)-1-carbamoylethyl]carbamoyl}pyrrolidin-1-yl]-1-oxohexan-2-yl]carbamoyl}-3-methylbutyl]carbamoyl}-5-[(pyridin-3-yl)formamido]pentyl]-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]-6-[(pyridin-3-yl)formamido]hexanamide

库存
550 克
纯度
98.1 %

化合物标识与属性

PubChem CID
44316759
SMILES
CCCCNC(=NCCCC[C@@H](C(=O)N1CCC[C@H]1C(=O)N[C@H](C)C(=O)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](CCCCNC(=O)C2=CN=CC=C2)NC(=O)[C@H](CCCCNC(=O)C3=CN=CC=C3)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)NC#N
Canonical SMILES
CCCCNC(=NCCCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](CCCCNC(=O)c1cccnc1)NC(=O)[C@H](CCCCNC(=O)c1cccnc1)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)N1CCC[C@H]1C(=O)N[C@H](C)C(N)=O)NC#N

名称与同义词

  • CHEMBL438191
  • BDBM50007957
  • J421.075A
  • pGlu-His-Trp-Ser-NicLys-DNicLys-Leu-Har(bCN)-Pro-DAla-NH2
  • (2S)-N-[(1R)-1-{[(1S)-1-{[(2S)-6-(N''-butyl-N'-cyanocarbamimidamido)-1-[(2S)-2-{[(1R)-1-carbamoylethyl]carbamoyl}pyrrolidin-1-yl]-1-oxohexan-2-yl]carbamoyl}-3-methylbutyl]carbamoyl}-5-[(pyridin-3-yl)formamido]pentyl]-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]-6-[(pyridin-3-yl)formamido]hexanamide
  • L-pGlu-L-His-L-Trp-L-Ser-N6-Nicotinoyl-L-Lys-N6-nicotinoyl-D-Lys-L-Leu-N6-[cyanoamino(butylimino)methyl]-L-Lys-L-Pro-D-Ala-NH2