Name: Biotin-16-dUTP
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT214324120
Cas No:86303-26-6
常用名:Biotin-16-dUTP
别名:Biotin-16-dUTP, Biotin-16-deoxyuridine-5'-triphosphate
别名:Biotin-16-dUTP, Biotin-16-deoxyuridine-5'-triphosphate
IUPAC:({[({[(2R,3S,5R)-5-{5-[(1E)-3-[6-(4-{5-[(3aS,4S,6aR)-2-oxo-hexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanamido}butanamido)hexanamido]prop-1-en-1-yl]-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl}-3-hydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy](hydroxy)phosphoryl}oxy)phosphonic acid
IUPAC:({[({[(2R,3S,5R)-5-{5-[(1E)-3-[6-(4-{5-[(3aS,4S,6aR)-2-oxo-hexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanamido}butanamido)hexanamido]prop-1-en-1-yl]-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl}-3-hydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy](hydroxy)phosphoryl}oxy)phosphonic acid
InChI key:APUCJHHBLIXMRI-YGXOHKNQSA-N

分子式:C32H52N7O18P3S
分子量:947.78
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:[H][C@]12CS[C@@H](CCCCC(=O)NCCCC(=O)NCCCCCC(=O)NC\C=C\c3cn([C@H]4C[C@H](O)[C@@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)O4)c(=O)[nH]c3=O)[C@@]1([H])NC(=O)N2
SMILES:[H][C@]12CS[C@@H](CCCCC(=O)NCCCC(=O)NCCCCCC(=O)NC\C=C\c3cn([C@H]4C[C@H](O)[C@@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)O4)c(=O)[nH]c3=O)[C@@]1([H])NC(=O)N2

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