Name: Velpatasvir
Rating: 5 (10 reviews)

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HIT ID:HIT212005377
Cas No:1377049-84-7
常用名:Velpatasvir
别名:维帕他韦, GS-5816
IUPAC:methyl N-[(1R)-2-[(2S,4S)-2-(5-{6-[(2S,5S)-1-[(2S)-2-[(methoxycarbonyl)amino]-3-methylbutanoyl]-5-methylpyrrolidin-2-yl]-21-oxa-5,7-diazapentacyclo[11.8.0.0^{3,11}.0^{4,8}.0^{14,19}]henicosa-1,3(11),4(8),6,9,12,14,16,18-nonaen-17-yl}-1H-imidazol-2-yl)-4-(methoxymethyl)pyrrolidin-1-yl]-2-oxo-1-phenylethyl]carbamate
IUPAC:methyl N-[(1R)-2-[(2S,4S)-2-(5-{6-[(2S,5S)-1-[(2S)-2-[(methoxycarbonyl)amino]-3-methylbutanoyl]-5-methylpyrrolidin-2-yl]-21-oxa-5,7-diazapentacyclo[11.8.0.0^{3,11}.0^{4,8}.0^{14,19}]henicosa-1,3(11),4(8),6,9,12,14,16,18-nonaen-17-yl}-1H-imidazol-2-yl)-4-(methoxymethyl)pyrrolidin-1-yl]-2-oxo-1-phenylethyl]carbamate
InChI key:FHCUMDQMBHQXKK-CDIODLITSA-N

分子式:C49H54N8O8
分子量:883.019
氢键供体数 (HBD):4
氢键受体数 (HBA):8
LogP:5.107198
SMILES:COC[C@H]1C[C@H](N(C1)C(=O)[C@H](NC(=O)OC)c1ccccc1)c1ncc([nH]1)-c1ccc-2c(COc3cc4c5[nH]c(nc5ccc4cc-23)[C@@H]2CC[C@H](C)N2C(=O)[C@@H](NC(=O)OC)C(C)C)c1
SMILES:COC[C@H]1C[C@H](N(C1)C(=O)[C@H](NC(=O)OC)c1ccccc1)c1ncc([nH]1)-c1ccc-2c(COc3cc4c5[nH]c(nc5ccc4cc-23)[C@@H]2CC[C@H](C)N2C(=O)[C@@H](NC(=O)OC)C(C)C)c1

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