Name: Elunonavir
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT218886851
Cas No:
常用名:Elunonavir
别名:GS-1156
IUPAC:methyl N-[(1S)-1-[N'-({4-[1-(difluoromethyl)-1H-pyrazol-3-yl]-2,6-difluorophenyl}methyl)-N'-[(2S,3S)-2-hydroxy-4-[4-(2-{2-[8-(oxetan-3-yl)-3,8-diazabicyclo[3.2.1]octan-3-yl]pyrimidin-5-yl}ethynyl)phenyl]-3-[(2S)-4,4,4-trifluoro-2-[(methoxycarbonyl)amino]-3,3-dimethylbutanamido]butyl]hydrazinecarbonyl]-3,3,3-trifluoro-2,2-dimethylpropyl]carbamate
IUPAC:methyl N-[(1S)-1-[N'-({4-[1-(difluoromethyl)-1H-pyrazol-3-yl]-2,6-difluorophenyl}methyl)-N'-[(2S,3S)-2-hydroxy-4-[4-(2-{2-[8-(oxetan-3-yl)-3,8-diazabicyclo[3.2.1]octan-3-yl]pyrimidin-5-yl}ethynyl)phenyl]-3-[(2S)-4,4,4-trifluoro-2-[(methoxycarbonyl)amino]-3,3-dimethylbutanamido]butyl]hydrazinecarbonyl]-3,3,3-trifluoro-2,2-dimethylpropyl]carbamate
InChI key:ZTSLYWLHCOINNI-FTEFBJIISA-N

分子式:C52H59F10N11O8
分子量:1156.097
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:COC(=O)N[C@H](C(=O)N[C@@H](Cc1ccc(cc1)C#Cc1cnc(nc1)N1CC2CCC(C1)N2C1COC1)[C@@H](O)CN(Cc1c(F)cc(cc1F)-c1ccn(n1)C(F)F)NC(=O)[C@@H](NC(=O)OC)C(C)(C)C(F)(F)F)C(C)(C)C(F)(F)F
SMILES:COC(=O)N[C@H](C(=O)N[C@@H](Cc1ccc(cc1)C#Cc1cnc(nc1)N1CC2CCC(C1)N2C1COC1)[C@@H](O)CN(Cc1c(F)cc(cc1F)-c1ccn(n1)C(F)F)NC(=O)[C@@H](NC(=O)OC)C(C)(C)C(F)(F)F)C(C)(C)C(F)(F)F

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