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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 C14174
pubchemid 7846986
name Allocain-S
formula C20H25NO2
structure
Isomeric_Smiles C[C@H](C(=O)NC1=CC=C(C=C1)C(=O)N)OC(=O)CCC2=NC3=CC=CC=C3S2
Cannoical_Smiles CC(C(=O)NC1=CC=C(C=C1)C(=O)N)OC(=O)CCC2=NC3=CC=CC=C3S2
Gotenzyme_Smiles CCN(CC)C(C)C(OC(=O)c1ccccc1)c1ccccc1