Terdecamycin
[CAS# 113167-61-6]

Identification

• Name: Terdecamycin
• Synonyms: 4-Methyl-1-Piperazinecarboxylic Acid [(3E,5E,9E,11E)-2-(1,2-Dioxopropylamino)-13-Hydroxy-1,4,10,19-Tetramethyl-17,18-Dioxo-16-Oxabicyclo[13.2.2]Nonadeca-3,5,9,11-Tetraen-7-Yl] Ester; 4-Methylpiperazine-1-Carboxylic Acid [(3E,5E,9E,11E)-13-Hydroxy-17,18-Diketo-1,4,10,19-Tetramethyl-2-Pyruvamido-16-Oxabicyclo[13.2.2]Nonadeca-3,5,9,11-Tetraen-7-Yl] Ester; Terdecamycinum [Inn-Latin]
• Molecular Formula: C₃₁H₄₃N₃O₈
• Molecular Weight: 585.70
• CAS Registry Number: 113167-61-6
• SMILES: CC13C(=O)C(C(OC1=O)CC(O)\C=C\C(=C\CC(OC(=O)N2CCN(CC2)C)/C=C/C(=C/C3NC(=O)C(=O)C)C)C)C
• InChI: 1S/C31H43N3O8/c1-19-7-10-23(36)18-25-21(3)27(37)31(5,29(39)42-25)26(32-28(38)22(4)35)17-20(2)9-12-24(11-8-19)41-30(40)34-15-13-33(6)14-16-34/h7-10,12,17,21,23-26,36H,11,13-16,18H2,1-6H3,(H,32,38)/b10-7+,12-9+,19-8+,20-17+
• InChIKey: ZNZIMXXFUIVOSF-MQGLKMMBSA-N