N(alpha)-Dimethylisoneocoprogen I
[CAS# 117852-96-7]

Identification

• Name: N(alpha)-Dimethylisoneocoprogen I
• 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] 5-(Acetyl-Oxido-Amino)-2-Dimethylamino-Pentanoate; Ferric 5-(Acetyl-Oxidoamino)-2-Dimethylaminopentanoic 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 5-(Acetyl-Oxido-Amino)-2-Dimethylamino-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: C₃₁H₄₉FeN₆O₁₁
• Molecular Weight: 737.61
• CAS Registry Number: 117852-96-7
• SMILES: C(C1NC(=O)C(NC1=O)CCCN([O-])C(=O)\C=C(/CCO)C)CCN([O-])C(=O)\C=C(/CCOC(=O)C(N(C)C)CCCN([O-])C(=O)C)C.[Fe+3]
• InChI: 1S/C31H49N6O11.Fe/c1-21(12-17-38)19-27(40)36(46)15-6-9-24-29(42)33-25(30(43)32-24)10-7-16-37(47)28(41)20-22(2)13-18-48-31(44)26(34(4)5)11-8-14-35(45)23(3)39;/h19-20,24-26,38H,6-18H2,1-5H3,(H,32,43)(H,33,42);/q-3;+3/b21-19-,22-20-
• InChIKey: BIZDNKJWCYIABN-JDVCJPALSA-N