Name: N-Trifluoroacetamido-4′-p-nitrobenzoyl daunorubicin
Rating: 5 (10 reviews)

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结构编辑

类似物检索

HIT ID:HIT219586676
Cas No:52583-24-1
常用名:N-Trifluoroacetamido-4′-p-nitrobenzoyl daunorubicin
常用名:N-Trifluoroacetamido-4′-p-nitrobenzoyl daunorubicin
别名:N-三氟乙酰氨基-4’-p-硝基苯甲酰柔红霉素
IUPAC:(2S,3S,4S,6R)-6-{[(1S,3S)-3-acetyl-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracen-1-yl]oxy}-2-methyl-4-(2,2,2-trifluoroacetamido)oxan-3-yl 4-nitrobenzoate
IUPAC:(2S,3S,4S,6R)-6-{[(1S,3S)-3-acetyl-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracen-1-yl]oxy}-2-methyl-4-(2,2,2-trifluoroacetamido)oxan-3-yl 4-nitrobenzoate
InChI key:HGBZBLPEFVMINN-BCCBPGDESA-N

分子式:C36H31F3N2O14
分子量:772.639
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:COc1cccc2C(=O)c3c(O)c4C[C@](O)(C[C@H](O[C@H]5C[C@H](NC(=O)C(F)(F)F)[C@H](OC(=O)c6ccc(cc6)[N+]([O-])=O)[C@H](C)O5)c4c(O)c3C(=O)c12)C(C)=O
SMILES:COc1cccc2C(=O)c3c(O)c4C[C@](O)(C[C@H](O[C@H]5C[C@H](NC(=O)C(F)(F)F)[C@H](OC(=O)c6ccc(cc6)[N+]([O-])=O)[C@H](C)O5)c4c(O)c3C(=O)c12)C(C)=O

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