Name: Thrombostatin cont-1
Rating: 5 (10 reviews)

有库存

sdf 文件

结构编辑

类似物检索

HIT ID:HIT217584584
Cas No:
常用名:Thrombostatin cont-1
IUPAC:(4S)-4-[(2S)-2-[(2S)-2-{2-[(2S)-2-{2-[(2R)-2-[(2S,3R)-2-[(2S)-2-[(2S)-2-[(2R)-2-[(2S)-2-[(2S)-2-[(2S)-2-{[(2S)-1-[(2S)-2-amino-4-carbamoylbutanoyl]pyrrolidin-2-yl]formamido}-3-(1H-indol-3-yl)propanamido]-3-hydroxypropanamido]-4-carbamoylbutanamido]-3-sulfanylpropanamido]-3-hydroxypropanamido]propanamido]-3-hydroxybutanamido]-3-sulfanylpropanamido]acetamido}-3-carboxypropanamido]acetamido}-3-methylbutanamido]-5-carbamimidamidopentanamido]-4-{[(1S)-4-carbamimidamido-1-{[(1S)-4-carbamimidamido-1-{[(1S)-4-carbamimidamido-1-carboxybutyl]carbamoyl}butyl]carbamoyl}butyl]carbamoyl}butanoic acid
IUPAC:(4S)-4-[(2S)-2-[(2S)-2-{2-[(2S)-2-{2-[(2R)-2-[(2S,3R)-2-[(2S)-2-[(2S)-2-[(2R)-2-[(2S)-2-[(2S)-2-[(2S)-2-{[(2S)-1-[(2S)-2-amino-4-carbamoylbutanoyl]pyrrolidin-2-yl]formamido}-3-(1H-indol-3-yl)propanamido]-3-hydroxypropanamido]-4-carbamoylbutanamido]-3-sulfanylpropanamido]-3-hydroxypropanamido]propanamido]-3-hydroxybutanamido]-3-sulfanylpropanamido]acetamido}-3-carboxypropanamido]acetamido}-3-methylbutanamido]-5-carbamimidamidopentanamido]-4-{[(1S)-4-carbamimidamido-1-{[(1S)-4-carbamimidamido-1-{[(1S)-4-carbamimidamido-1-carboxybutyl]carbamoyl}butyl]carbamoyl}butyl]carbamoyl}butanoic acid
InChI key:XJHLZPSQTHIVOU-GLZHKBKGSA-N

分子式:C87H142N34O29S2
分子量:2192.42
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:CC(C)[C@H](NC(=O)CNC(=O)[C@H](CC(O)=O)NC(=O)CNC(=O)[C@H](CS)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](CS)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCC(N)=O)[C@@H](C)O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(O)=O
SMILES:CC(C)[C@H](NC(=O)CNC(=O)[C@H](CC(O)=O)NC(=O)CNC(=O)[C@H](CS)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](CS)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCC(N)=O)[C@@H](C)O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(O)=O

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