Zankiren
HIT212713979
sdf文件结构编辑类似物检索
HIT ID: HIT212713979
Cas No: 138742-43-5
分子式: C35H55N5O6S2
分子量: 705.97
常用名: Zankiren
氢键受体数 (HBA): 8
氢键供体数 (HBD): 4
LogP: 2.863837
IUPAC: (2S)-2-[(2S)-2-benzyl-3-[(4-methylpiperazin-1-yl)sulfonyl]propanamido]-N-[(2S,3R,4S)-1-cyclohexyl-3,4-dihydroxy-6-methylheptan-2-yl]-3-(1,3-thiazol-4-yl)propanamide
IUPAC: (2S)-2-[(2S)-2-benzyl-3-[(4-methylpiperazin-1-yl)sulfonyl]propanamido]-N-[(2S,3R,4S)-1-cyclohexyl-3,4-dihydroxy-6-methylheptan-2-yl]-3-(1,3-thiazol-4-yl)propanamide
SMILES: CC(C)C[C@H](O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1cscn1)NC(=O)[C@H](Cc1ccccc1)CS(=O)(=O)N1CCN(C)CC1
SMILES: CC(C)C[C@H](O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1cscn1)NC(=O)[C@H](Cc1ccccc1)CS(=O)(=O)N1CCN(C)CC1
InChI key: YFDSDRDMDDGDFC-HOQQKOLYSA-N
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