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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 C18365
pubchemid 124489039
name Carbetocin
formula C45H69N11O12S
structure
Isomeric_Smiles CC(C)[C@H](C(=O)N(C)C[C@@H]1CCN(C1)C)N
Cannoical_Smiles CC(C)C(C(=O)N(C)CC1CCN(C1)C)N
Gotenzyme_Smiles CCC(C)C1NC(=O)C(Cc2ccc(OC)cc2)NC(=O)CCCSCC(C(=O)N2CCCC2C(=O)NC(CC(C)C)C(=O)NCC(N)=O)NC(=O)C(CC(N)=O)NC(=O)C(CCC(N)=O)NC1=O