Cobicistat-d8
HIT217661163
sdf文件结构编辑类似物检索
HIT ID: HIT217661163
Cas No:
分子式: C40H53N7O5S2
分子量: 784.08
常用名: Cobicistat-d8
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: (1,3-thiazol-5-yl)methyl N-[(2R,5R)-5-[(2S)-2-{[methyl({[2-(propan-2-yl)-1,3-thiazol-4-yl]methyl})carbamoyl]amino}-4-[(2,2,3,3,5,5,6,6-2H8)morpholin-4-yl]butanamido]-1,6-diphenylhexan-2-yl]carbamate
IUPAC: (1,3-thiazol-5-yl)methyl N-[(2R,5R)-5-[(2S)-2-{[methyl({[2-(propan-2-yl)-1,3-thiazol-4-yl]methyl})carbamoyl]amino}-4-[(2,2,3,3,5,5,6,6-2H8)morpholin-4-yl]butanamido]-1,6-diphenylhexan-2-yl]carbamate
SMILES: [2H]C1([2H])OC([2H])([2H])C([2H])([2H])N(CC[C@H](NC(=O)N(C)Cc2csc(n2)C(C)C)C(=O)N[C@H](CC[C@H](Cc2ccccc2)NC(=O)OCc2cncs2)Cc2ccccc2)C1([2H])[2H]
SMILES: [2H]C1([2H])OC([2H])([2H])C([2H])([2H])N(CC[C@H](NC(=O)N(C)Cc2csc(n2)C(C)C)C(=O)N[C@H](CC[C@H](Cc2ccccc2)NC(=O)OCc2cncs2)Cc2ccccc2)C1([2H])[2H]
InChI key: ZCIGNRJZKPOIKD-OZLZWQNVSA-N
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