Name: Acetyl-pepstatin
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT212711995
Cas No:11076-29-2
常用名:Acetyl-pepstatin
别名:乙酰胃泌素, Streptomyces pepsin inhibitor, Ac-Pepstatin
别名:乙酰胃泌素, Streptomyces pepsin inhibitor, Ac-Pepstatin
IUPAC:(3S,4S)-4-[(2S)-2-[(3S,4S)-4-[(2S)-2-[(2S)-2-acetamido-3-methylbutanamido]-3-methylbutanamido]-3-hydroxy-6-methylheptanamido]propanamido]-3-hydroxy-6-methylheptanoic acid
IUPAC:(3S,4S)-4-[(2S)-2-[(3S,4S)-4-[(2S)-2-[(2S)-2-acetamido-3-methylbutanamido]-3-methylbutanamido]-3-hydroxy-6-methylheptanamido]propanamido]-3-hydroxy-6-methylheptanoic acid
InChI key:WKYBEGDEGRCZNF-LBTYKNIQSA-N

分子式:C31H57N5O9
分子量:643.823
氢键供体数 (HBD):8
氢键受体数 (HBA):9
LogP:0.2862472
SMILES:CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(C)=O)C(C)C)C(C)C)[C@@H](O)CC(O)=O
SMILES:CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(C)=O)C(C)C)C(C)C)[C@@H](O)CC(O)=O

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