Atazanavir-d6
HIT217664200
sdf文件结构编辑类似物检索
HIT ID: HIT217664200
Cas No:
分子式: C38H52N6O7
分子量: 710.906
常用名: Atazanavir-d6
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: (2H3)methyl N-[(1S)-1-{N'-[(2S,3S)-2-hydroxy-3-[(2S)-2-{[(2H3)methoxycarbonyl]amino}-3,3-dimethylbutanamido]-4-phenylbutyl]-N'-{[4-(pyridin-2-yl)phenyl]methyl}hydrazinecarbonyl}-2,2-dimethylpropyl]carbamate
IUPAC: (2H3)methyl N-[(1S)-1-{N'-[(2S,3S)-2-hydroxy-3-[(2S)-2-{[(2H3)methoxycarbonyl]amino}-3,3-dimethylbutanamido]-4-phenylbutyl]-N'-{[4-(pyridin-2-yl)phenyl]methyl}hydrazinecarbonyl}-2,2-dimethylpropyl]carbamate
SMILES: [2H]C([2H])([2H])OC(=O)N[C@H](C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CN(Cc1ccc(cc1)-c1ccccn1)NC(=O)[C@@H](NC(=O)OC([2H])([2H])[2H])C(C)(C)C)C(C)(C)C
SMILES: [2H]C([2H])([2H])OC(=O)N[C@H](C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CN(Cc1ccc(cc1)-c1ccccn1)NC(=O)[C@@H](NC(=O)OC([2H])([2H])[2H])C(C)(C)C)C(C)(C)C
InChI key: AXRYRYVKAWYZBR-ORLNJQPYSA-N
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