(S,R,S)-AHPC-C3-NH2
HIT212668299
sdf文件结构编辑类似物检索
HIT ID: HIT212668299
Cas No: 2361119-88-0
分子式: C26H37N5O4S
分子量: 515.67
常用名: (S,R,S)-AHPC-C3-NH2
氢键受体数 (HBA): 6
氢键供体数 (HBD): 4
LogP: 2.055
IUPAC: (2S,4R)-1-[(2S)-2-(4-aminobutanamido)-3,3-dimethylbutanoyl]-4-hydroxy-N-{[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl}pyrrolidine-2-carboxamide
IUPAC: (2S,4R)-1-[(2S)-2-(4-aminobutanamido)-3,3-dimethylbutanoyl]-4-hydroxy-N-{[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl}pyrrolidine-2-carboxamide
SMILES: Cc1ncsc1-c1ccc(CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)CCCN)C(C)(C)C)cc1
SMILES: Cc1ncsc1-c1ccc(CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)CCCN)C(C)(C)C)cc1
InChI key: BTWJXNBKKYWEHA-ZRCGQRJVSA-N
共显示2个结果
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TargetMol
SC
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Enamine
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