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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 C11634
pubchemid 13799
name Vellosimine
formula C19H20N2O
structure
Isomeric_Smiles C1CC[NH+](CC1)CCC2=NOC(=C2)C3=CC=CC=C3.C(C(=O)O)C(CC(=O)O)(C(=O)[O-])O
Cannoical_Smiles C1CC[NH+](CC1)CCC2=NOC(=C2)C3=CC=CC=C3.C(C(=O)O)C(CC(=O)O)(C(=O)[O-])O
Gotenzyme_Smiles C/C=C1/CN2[C@H]3C[C@@H]1[C@@H](C=O)[C@@H]2Cc1c3[nH]c2ccccc12