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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 C12266
pubchemid 14411
name Iturin A
formula C37H51N12O14R
structure
Isomeric_Smiles CN(C)CCN1C2=C(C=C(C=C2)SC)NC3=CC=CC=C3C1=O
Cannoical_Smiles CN(C)CCN1C2=C(C=C(C=C2)SC)NC3=CC=CC=C3C1=O
Gotenzyme_Smiles *C1CC(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](Cc2ccc(O)cc2)C(=O)N[C@H](CC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N2CCC[C@H]2C(=O)N[C@H](CC(N)=O)C(=O)N[C@@H](CO)C(=O)N1