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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 C09162
pubchemid 11354
name Ergocornine
formula C31H39N5O5
structure
Isomeric_Smiles CN(C)C1=C(C=C(C(=C1)F)N=NC2=C(C=CC(=C2)F)F)F
Cannoical_Smiles CN(C)C1=C(C=C(C(=C1)F)N=NC2=C(C=CC(=C2)F)F)F
Gotenzyme_Smiles CC(C)[C@H]1C(=O)N2CCC[C@H]2[C@]2(O)O[C@](NC(=O)[C@@H]3C=C4c5cccc6[nH]cc(c56)C[C@H]4N(C)C3)(C(C)C)C(=O)N12