SARS-CoV-2-IN-41
HIT218851258
sdf文件结构编辑类似物检索
HIT ID: HIT218851258
Cas No: 2920904-06-7
分子式: C22H30F3N5O4S2
分子量: 549.63
常用名: SARS-CoV-2-IN-41
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: (8S)-N-[(1S)-1-cyano-2-[(3S)-2-oxopyrrolidin-3-yl]ethyl]-7-[(2S)-3,3-dimethyl-2-(2,2,2-trifluoroacetamido)butanoyl]-1,4-dithia-7-azaspiro[4.4]nonane-8-carboxamide
IUPAC: (8S)-N-[(1S)-1-cyano-2-[(3S)-2-oxopyrrolidin-3-yl]ethyl]-7-[(2S)-3,3-dimethyl-2-(2,2,2-trifluoroacetamido)butanoyl]-1,4-dithia-7-azaspiro[4.4]nonane-8-carboxamide
SMILES: CC(C)(C)[C@H](NC(=O)C(F)(F)F)C(=O)N1CC2(C[C@H]1C(=O)N[C@@H](C[C@@H]1CCNC1=O)C#N)SCCS2
SMILES: CC(C)(C)[C@H](NC(=O)C(F)(F)F)C(=O)N1CC2(C[C@H]1C(=O)N[C@@H](C[C@@H]1CCNC1=O)C#N)SCCS2
InChI key: LQBRGTAIBBFUJJ-ZQDZILKHSA-N
共显示1个结果
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