Name: AMCA-6-dUTP
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT218850737
Cas No:758665-99-5
常用名:AMCA-6-dUTP
IUPAC:({[({[(2R,3S,5R)-5-{5-[(1E)-3-{6-[2-(7-amino-4-methyl-2-oxo-2H-chromen-3-yl)acetamido]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-[2-(7-amino-4-methyl-2-oxo-2H-chromen-3-yl)acetamido]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:JOYRMWPIHHXOPJ-CFQWBBOESA-N

分子式:C30H40N5O18P3
分子量:851.588
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:Cc1c(CC(=O)NCCCCCC(=O)NC\C=C\c2cn([C@H]3C[C@H](O)[C@@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)O3)c(=O)[nH]c2=O)c(=O)oc2cc(N)ccc12
SMILES:Cc1c(CC(=O)NCCCCCC(=O)NC\C=C\c2cn([C@H]3C[C@H](O)[C@@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)O3)c(=O)[nH]c2=O)c(=O)oc2cc(N)ccc12

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