Biotin-16-UTP
HIT218852315
sdf文件结构编辑类似物检索
HIT ID: HIT218852315
Cas No: 186033-13-6
分子式: C32H48Li4N7O19P3S
分子量: 987.51
常用名: Biotin-16-UTP
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: tetralithium(1+) ({[(2R,3S,4R,5R)-5-{5-[(1E)-3-[4-(6-{5-[(3aS,4S,6aR)-2-oxo-hexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanamido}hexanamido)butanamido]prop-1-en-1-yl]-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl}-3,4-dihydroxyoxolan-2-yl]methyl phosphonato}oxy)(phosphonatooxy)phosphinate
IUPAC: tetralithium(1+) ({[(2R,3S,4R,5R)-5-{5-[(1E)-3-[4-(6-{5-[(3aS,4S,6aR)-2-oxo-hexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanamido}hexanamido)butanamido]prop-1-en-1-yl]-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl}-3,4-dihydroxyoxolan-2-yl]methyl phosphonato}oxy)(phosphonatooxy)phosphinate
SMILES: [Li+].[Li+].[Li+].[Li+].[H][C@]12CS[C@@H](CCCCC(=O)NCCCCCC(=O)NCCCC(=O)NC\C=C\c3cn([C@@H]4O[C@H](COP([O-])(=O)OP([O-])(=O)OP([O-])([O-])=O)[C@@H](O)[C@H]4O)c(=O)[nH]c3=O)[C@@]1([H])NC(=O)N2
SMILES: [Li+].[Li+].[Li+].[Li+].[H][C@]12CS[C@@H](CCCCC(=O)NCCCCCC(=O)NCCCC(=O)NC\C=C\c3cn([C@@H]4O[C@H](COP([O-])(=O)OP([O-])(=O)OP([O-])([O-])=O)[C@@H](O)[C@H]4O)c(=O)[nH]c3=O)[C@@]1([H])NC(=O)N2
InChI key: SMHNYQKRIFXARG-DJUJCBRMSA-J
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