[5-[[3-[5-[3-(Acetylhydroxyamino)Propyl]-3,6-Dioxo-2-Piperazinyl]Propyl]Hydroxyamino]-3-Methyl-5-Oxo-3-Pentenyl-N2-Acetyl-N5-(4,5-Dihydroxy-3-Methyl-1-Oxo-2-Pentenyl)-N5-Hydroxy-L-Ornithinato(3-)]-Iron
[CAS# 135500-10-6]

Identification

• Name: [5-[[3-[5-[3-(Acetylhydroxyamino)Propyl]-3,6-Dioxo-2-Piperazinyl]Propyl]Hydroxyamino]-3-Methyl-5-Oxo-3-Pentenyl-N2-Acetyl-N5-(4,5-Dihydroxy-3-Methyl-1-Oxo-2-Pentenyl)-N5-Hydroxy-L-Ornithinato(3-)]-Iron
• Synonyms: Ferric [(Z)-5-[3-[5-[3-(Acetyl-Oxido-Amino)Propyl]-3,6-Dioxo-Piperazin-2-Yl]Propyl-Oxido-Amino]-3-Methyl-5-Oxo-Pent-3-Enyl] 2-Acetamido-5-[[(E)-4,5-Dihydroxy-3-Methyl-Pent-2-Enoyl]-Oxido-Amino]Pentanoate; Ferric 2-Acetamido-5-[[(E)-4,5-Dihydroxy-3-Methyl-1-Oxopent-2-Enyl]-Oxidoamino]Pentanoic Acid [(Z)-5-[3-[5-[3-(Acetyl-Oxidoamino)Propyl]-3,6-Dioxo-2-Piperazinyl]Propyl-Oxidoamino]-3-Methyl-5-Oxopent-3-Enyl] Ester; Ferric 2-Acetamido-5-[[(E)-4,5-Dihydroxy-3-Methyl-Pent-2-Enoyl]-Oxido-Amino]Valeric Acid [(Z)-5-[3-[5-[3-(Acetyl-Oxido-Amino)Propyl]-3,6-Diketo-Piperazin-2-Yl]Propyl-Oxido-Amino]-5-Keto-3-Methyl-Pent-3-Enyl] Ester
• Molecular Formula: C₃₁H₄₇FeN₆O₁₃
• Molecular Weight: 767.59
• CAS Registry Number: 135500-10-6
• SMILES: C(C1NC(=O)C(NC1=O)CCCN([O-])C(=O)C)CCN([O-])C(=O)\C=C(/CCOC(=O)C(NC(=O)C)CCCN([O-])C(=O)\C=C(C(O)CO)/C)C.[Fe+3]
• InChI: 1S/C31H47N6O13.Fe/c1-19(11-15-50-31(46)25(32-21(3)39)10-7-14-37(49)28(43)17-20(2)26(41)18-38)16-27(42)36(48)13-6-9-24-30(45)33-23(29(44)34-24)8-5-12-35(47)22(4)40;/h16-17,23-26,38,41H,5-15,18H2,1-4H3,(H,32,39)(H,33,45)(H,34,44);/q-3;+3/b19-16-,20-17+
• InChIKey: UHRPREMPADIQSN-HNSQUHKSSA-N