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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 C14677
pubchemid 17395676
name 1-Dehydroprogesterone
formula C21H28O2
structure
Isomeric_Smiles CCOC(=O)C1=C(NC(=C1C)C(=O)N2CCN(CC2)CC3=NC4=CC=CC=C4S3)C
Cannoical_Smiles CCOC(=O)C1=C(NC(=C1C)C(=O)N2CCN(CC2)CC3=NC4=CC=CC=C4S3)C
Gotenzyme_Smiles CC(=O)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3CC[C@]12C