N,N',N''-Triacetylfusarinine C
Molecular Formula:
C39H57FeN6O15
InChI: InChI=1/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/f/h40-42H;
InChIKey: InChIKey=UIVTVLVVAXJPKM-HMZYFPLFDR
SMILES: CC1=CC(=O)N(CCCC(C(=O)OCCC(=CC(=O)N(CCCC(C(=O)OCCC(=CC(=O)N(CCCC(C(=O)OCC1)NC(=O)C)[O-])C)NC(=O)C)[O-])C)NC(=O)C)[O-].[Fe+3]
Names:
Iron, ((N2-acetyl-N5-hydroxy-N5-(5-hydroxy-3-methyl-1-oxo-2-pentenyl)-L-ornithine trimol. lactonato)(3-))-, stereoisomer
NSC 295379
N,N',N''-Triacetylfusarinine C
N-[(4Z,11S,16Z,23S,28Z,35S)-23,35-diacetamido-4,16,28-trimethyl-7,19,31-trioxido-6,12,18,24,30,36-hexaoxo-1,13,25-trioxa-7,19,31-triazacyclohexatriaconta-4,16,28-trien-11-yl]acetamide; iron(+3) cation
59200-35-0
Registries:
PubChem CID 6436274
PubChem ID 215704
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