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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 C14487
pubchemid 17395487
name Ethisterone
formula C21H28O2
structure
Isomeric_Smiles CC1=CC(=C(C=C1)OCC(=O)N2CCN(CC2)C3=NC=CC=N3)[N+](=O)[O-]
Cannoical_Smiles CC1=CC(=C(C=C1)OCC(=O)N2CCN(CC2)C3=NC=CC=N3)[N+](=O)[O-]
Gotenzyme_Smiles C#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C