Hydroxycoprogen
[CAS# 135467-86-6]

Identification

• Name: Hydroxycoprogen
• Synonyms: Ferric [(Z)-5-[3-[5-[3-[[(Z)-5-Hydroxy-3-Methyl-Pent-2-Enoyl]-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-[[(Z)-5-Hydroxy-3-Methyl-1-Oxopent-2-Enyl]-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-[[(Z)-5-Hydroxy-3-Methyl-Pent-2-Enoyl]-Oxido-Amino]Propyl]-3,6-Diketo-Piperazin-2-Yl]Propyl-Oxido-Amino]-5-Keto-3-Methyl-Pent-3-Enyl] Ester
• Molecular Formula: C₃₅H₅₃FeN₆O₁₄
• Molecular Weight: 837.68
• CAS Registry Number: 135467-86-6
• SMILES: C(C1NC(=O)C(NC1=O)CCCN([O-])C(=O)\C=C(/CCO)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/C35H53N6O14.Fe/c1-22(11-16-42)18-30(46)39(52)13-5-8-26-33(49)38-27(34(50)37-26)9-6-14-40(53)31(47)19-23(2)12-17-55-35(51)28(36-25(4)44)10-7-15-41(54)32(48)20-24(3)29(45)21-43;/h18-20,26-29,42-43,45H,5-17,21H2,1-4H3,(H,36,44)(H,37,50)(H,38,49);/q-3;+3/b22-18-,23-19-,24-20+
• InChIKey: PHXCPEJBBJLVKD-WNGUBTJFSA-N