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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 C07218
pubchemid 9427
name Zolmitriptan
formula C16H21N3O2
structure
Isomeric_Smiles C1=C(C(=O)NC(=O)N1[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O)F
Cannoical_Smiles C1=C(C(=O)NC(=O)N1C2C(C(C(O2)CO)O)O)F
Gotenzyme_Smiles CN(C)CCc1c[nH]c2ccc(C[C@H]3COC(=O)N3)cc12