Esperamicin A1
[CAS# 99674-26-7]

Identification

• Name: Esperamicin A1
• Synonyms: [3-Hydroxy-6-[[(5E,13E)-9-Hydroxy-2-[4-Hydroxy-5-[(4-Hydroxy-6-Methyl-5-Methylsulfanyloxan-2-Yl)Oxyamino]-3-[4-Methoxy-5-(Propan-2-Ylamino)Oxan-2-Yl]Oxy-6-Methyloxan-2-Yl]Oxy-12-(Methoxycarbonylamino)-13-(2-Methylsulfanyldisulfanylethylidene)-11-Oxo-10-Bi
• Molecular Formula: C₅₉H₈₀N₄O₂₂S₄
• Molecular Weight: 1325.53
• CAS Registry Number: 99674-26-7
• SMILES: C6#C\C=C/C#CC(OC2OC(C(NOC1OC(C(SC)C(O)C1)C)C(O)C2OC3OCC(NC(C)C)C(OC)C3)C)C7=C(NC(OC)=O)C(=O)C(OC5OC(C(O)C(OC(=O)C4=CC(=C(OC)C=C4NC(=O)C(OC)=C)OC)C5)C)C6(O)\C7=C\CSSSC
• InChI: 1S/C59H80N4O22S4/c1-28(2)60-36-27-77-43(25-39(36)73-8)83-52-50(66)47(63-85-45-24-37(64)53(86-12)31(5)79-45)29(3)80-57(52)82-38-18-16-14-15-17-20-59(71)34(19-21-88-89-87-13)46(38)48(62-58(70)76-11)51(67)54(59)84-44-26-42(49(65)30(4)78-44)81-56(69)33-22-40(
• InChIKey: LJQQFQHBKUKHIS-WJHRIEJJSA-N