Triacetylfusarinine C
CAS Registry Number®
59200-35-0
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CAS Name
Triacetylfusarinine CMolecular Formula
C39H57FeN6O15Cite this Page
Triacetylfusarinine C. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=59200-35-0 (retrieved ) (CAS RN: 59200-35-0). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Other Names and Identifiers
InChI
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
InChIKey=UIVTVLVVAXJPKM-IJGXQDLJSA-N
SMILES
C\C\1=C\C2=O[Fe+3]3456O=C(N([O-]3)CCC[C@H](NC(C)=O)C(=O)OCC1)/C=C(/C)\CCOC(=O)[C@@H](NC(C)=O)CCCN([O-]4)C(=O5)/C=C(/C)\CCOC(=O)[C@@H](NC(C)=O)CCCN2[O-]6
Canonical SMILES
O=C1OCCC(=CC2=O[Fe+3]3456O=C(C=C(C)CCOC(=O)C(NC(=O)C)CCCN([O-]3)C(=O4)C=C(C)CCOC(=O)C(NC(=O)C)CCCN2[O-]5)N([O-]6)CCCC1NC(=O)C)C
Other Names for this Substance
- Iron, [N2-acetyl-N5-[N2-acetyl-N5-[N2-acetyl-N5-(hydroxy-κO)-N5-[(2Z)-5-hydroxy-3-methyl-1-(oxo-κO)-2-penten-1-yl]-L-ornithyl-(2Z)-5-hydroxy-3-methyl-2-pentenoyl-κO]-N5-(hydroxy-κO)-L-ornithyl-(2Z)-5-hydroxy-3-methyl-2-pentenoyl-κO]-N5-(hydroxy-κO)-L-ornithine (5→15)-lactonato(3-)]-, (OC-6-22-Λ)-
- Iron, [N2-acetyl-N5-[N2-acetyl-N5-[N2-acetyl-N5-(hydroxy-κO)-N5-[(2Z)-5-hydroxy-3-methyl-1-(oxo-κO)-2-pentenyl]-L-ornithyl-(2Z)-5-hydroxy-3-methyl-2-pentenoyl-κO]-N5-(hydroxy-κO)-L-ornithyl-(2Z)-5-hydroxy-3-methyl-2-pentenoyl-κO]-N5-(hydroxy-κO)-L-ornithine (5→15)-lactonato(3-)]-, (OC-6-22-Λ)-
- 1,13,25-Trioxa-7,19,31-triazacyclohexatriacontane, cyclic peptide deriv., iron complex
- (OC-6-22-Λ)-[N2-Acetyl-N5-[N2-acetyl-N5-[N2-acetyl-N5-(hydroxy-κO)-N5-[(2Z)-5-hydroxy-3-methyl-1-(oxo-κO)-2-penten-1-yl]-L-ornithyl-(2Z)-5-hydroxy-3-methyl-2-pentenoyl-κO]-N5-(hydroxy-κO)-L-ornithyl-(2Z)-5-hydroxy-3-methyl-2-pentenoyl-κO]-N5-(hydroxy-κO)-L-ornithine (5→15)-lactonato(3-)]iron
- Fusigen, N,N′,N′′-triacetyl-
