N,N',N''-Triacetylfusarinine C
[CAS# 59200-35-0]

Identification

• Name: N,N',N''-Triacetylfusarinine C
• Synonyms: Ferric N-[(3S,9Z,15S,21Z,27S,33Z)-15,27-Diacetamido-10,22,34-Trimethyl-7,19,31-Trioxido-2,8,14,20,26,32-Hexaoxo-1,13,25-Trioxa-7,19,31-Triazacyclohexatriaconta-9,21,33-Trien-3-Yl]Acetamide; Ferric N-[(3S,9Z,15S,21Z,27S,33Z)-15,27-Diacetamido-2,8,14,20,26,32-Hexaketo-10,22,34-Trimethyl-7,19,31-Trioxido-1,13,25-Trioxa-7,19,31-Triazacyclohexatriaconta-9,21,33-Trien-3-Yl]Acetamide; N-[(3S,9Z,15S,21Z,27S,33Z)-15,27-Diacetamido-10,22,34-Trimethyl-7,19,31-Trioxido-2,8,14,20,26,32-Hexaoxo-1,13,25-Trioxa-7,19,31-Triazacyclohexatriaconta-9,21,33-Trien-3-Yl]Ethanamide; Iron(+3) Cation
• Molecular Formula: C₃₉H₅₇FeN₆O₁₅
• Molecular Weight: 905.76
• CAS Registry Number: 59200-35-0
• SMILES: [Fe+3]|1|2|3|4|5|[O-]N6C(=O|1)C=C(CCOC(=O)C(NC(=O)C)CCCN([O-]|2)C(=O|3)\C=C(CCOC(=O)[C@@H](NC(=O)C)CCCN([O-]|4)C(=O|5)\C=C(CCOC(=O)[C@@H](NC(=O)C)CCC6)/C)/C)C
• InChI: 1S/C39H57N6O15.Fe/c1-25-13-19-58-37(52)31(40-28(4)46)11-8-17-44(56)35(50)23-27(3)15-21-60-39(54)33(42-30(6)48)12-9-18-45(57)36(51)24-26(2)14-20-59-38(53)32(41-29(5)47)10-7-16-43(55)34(49)22-25;/h22-24,31-33H,7-21H2,1-6H3,(H,40,46)(H,41,47)(H,42,48);/q-3;+3/b25-22+,26-24+,27-23?;/t31-,32-,33?;/m0./s1
• InChIKey: UIVTVLVVAXJPKM-CGNNSOQMSA-N