Hydroxy ritonavir
HIT214983087
sdf文件结构编辑类似物检索
HIT ID: HIT214983087
Cas No: 176655-56-4
分子式: C37H48N6O6S2
分子量: 736.95
常用名: Hydroxy ritonavir
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: (1,3-thiazol-5-yl)methyl N-[(2S,3S,5S)-3-hydroxy-5-[(2S)-2-[({[2-(2-hydroxypropan-2-yl)-1,3-thiazol-4-yl]methyl}(methyl)carbamoyl)amino]-3-methylbutanamido]-1,6-diphenylhexan-2-yl]carbamate
IUPAC: (1,3-thiazol-5-yl)methyl N-[(2S,3S,5S)-3-hydroxy-5-[(2S)-2-[({[2-(2-hydroxypropan-2-yl)-1,3-thiazol-4-yl]methyl}(methyl)carbamoyl)amino]-3-methylbutanamido]-1,6-diphenylhexan-2-yl]carbamate
SMILES: CC(C)[C@H](NC(=O)N(C)Cc1csc(n1)C(C)(C)O)C(=O)N[C@H](C[C@H](O)[C@H](Cc1ccccc1)NC(=O)OCc1cncs1)Cc1ccccc1
SMILES: CC(C)[C@H](NC(=O)N(C)Cc1csc(n1)C(C)(C)O)C(=O)N[C@H](C[C@H](O)[C@H](Cc1ccccc1)NC(=O)OCc1cncs1)Cc1ccccc1
InChI key: CLEDZMPJHBBTNZ-QJANCWQKSA-N
共显示2个结果
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TargetMol
SC
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Mcule
SC
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