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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 C15823
pubchemid 47205148
name Progeldanamycin
formula C27H41NO6
structure
Isomeric_Smiles CC(C(=O)N(C)C)NC(=O)NCC1=CC=C(C=C1)OC
Cannoical_Smiles CC(C(=O)N(C)C)NC(=O)NCC1=CC=C(C=C1)OC
Gotenzyme_Smiles CO[C@H]1CC/C=C(\C)C(=O)Nc2cc(O)cc(c2)C[C@@H](C)C[C@H](OC)[C@H](O)C(C)/C=C(\C)[C@@H]1O