Name: Hylambatin
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT217584729
Cas No:
常用名:Hylambatin
IUPAC:(3S)-3-{[(2S)-1-[(2S)-2-{[(2S)-1-[(2S)-1-[(2S)-2-amino-3-carboxypropanoyl]pyrrolidine-2-carbonyl]pyrrolidin-2-yl]formamido}-3-carboxypropanoyl]pyrrolidin-2-yl]formamido}-3-{[(1S)-4-carbamimidamido-1-{[(1S)-1-{[(1S)-1-[({[(1S)-1-{[(1S)-1-carbamoyl-3-(methylsulfanyl)propyl]carbamoyl}-3-(methylsulfanyl)propyl]carbamoyl}methyl)carbamoyl]-2-(4-hydroxyphenyl)ethyl]carbamoyl}-2-phenylethyl]carbamoyl}butyl]carbamoyl}propanoic acid
IUPAC:(3S)-3-{[(2S)-1-[(2S)-2-{[(2S)-1-[(2S)-1-[(2S)-2-amino-3-carboxypropanoyl]pyrrolidine-2-carbonyl]pyrrolidin-2-yl]formamido}-3-carboxypropanoyl]pyrrolidin-2-yl]formamido}-3-{[(1S)-4-carbamimidamido-1-{[(1S)-1-{[(1S)-1-[({[(1S)-1-{[(1S)-1-carbamoyl-3-(methylsulfanyl)propyl]carbamoyl}-3-(methylsulfanyl)propyl]carbamoyl}methyl)carbamoyl]-2-(4-hydroxyphenyl)ethyl]carbamoyl}-2-phenylethyl]carbamoyl}butyl]carbamoyl}propanoic acid
InChI key:OJXWEKGZQZOOJV-DNCDJHDYSA-N

分子式:C63H90N16O19S2
分子量:1439.63
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:CSCC[C@H](NC(=O)[C@H](CCSC)NC(=O)CNC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(O)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CC(O)=O)C(N)=O
SMILES:CSCC[C@H](NC(=O)[C@H](CCSC)NC(=O)CNC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(O)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CC(O)=O)C(N)=O

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