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MTC 智能计算中心MTC Computing Center AI × 蛋白质与酶工程AI for Protein & Enzyme Engineering

化合物信息

名称 内容
kegg编号 C13031
pubchemid 583420
name Estramustine phosphate sodium
formula C23H30Cl2NO6P. 2Na
structure
Isomeric_Smiles C1C(NCS1)(C(C2=CC=CC=C2)O)C(=O)N
Cannoical_Smiles C1C(NCS1)(C(C2=CC=CC=C2)O)C(=O)N
Gotenzyme_Smiles C[C@]12CC[C@@H]3c4ccc(OC(=O)N(CCCl)CCCl)cc4CC[C@H]3[C@@H]1CC[C@@H]2OP(=O)([O-])[O-].[Na+].[Na+]