Ladirubicin
HIT214319676
sdf文件结构编辑类似物检索
HIT ID: HIT214319676
Cas No: 171047-47-5
分子式: C29H31NO11S
分子量: 601.62
常用名: Ladirubicin
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: (2S,3S,6R)-6-{[(1S,3S)-3-acetyl-3,5,12-trihydroxy-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracen-1-yl]oxy}-4-(aziridin-1-yl)-2-methyloxan-3-yl methanesulfonate
IUPAC: (2S,3S,6R)-6-{[(1S,3S)-3-acetyl-3,5,12-trihydroxy-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracen-1-yl]oxy}-4-(aziridin-1-yl)-2-methyloxan-3-yl methanesulfonate
SMILES: C[C@@H]1O[C@H](CC([C@@H]1OS(C)(=O)=O)N1CC1)O[C@H]1C[C@@](O)(Cc2c(O)c3C(=O)c4ccccc4C(=O)c3c(O)c12)C(C)=O |@:12|
SMILES: C[C@@H]1O[C@H](CC([C@@H]1OS(C)(=O)=O)N1CC1)O[C@H]1C[C@@](O)(Cc2c(O)c3C(=O)c4ccccc4C(=O)c3c(O)c12)C(C)=O |@:12|
InChI key: VMDWTZZCNDEKIO-LWNNGOSASA-N
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