N(alpha)-Dimethylneocoprogen
[CAS# 117852-95-6]

Identification

• Name: N(alpha)-Dimethylneocoprogen
• 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-Dimethylamino-5-[[(E)-5-Hydroxy-3-Methyl-Pent-2-Enoyl]-Oxido-Amino]Pentanoate; Ferric 2-Dimethylamino-5-[[(E)-5-Hydroxy-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-Dimethylamino-5-[[(E)-5-Hydroxy-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: C₃₁H₄₉FeN₆O₁₁
• Molecular Weight: 737.61
• CAS Registry Number: 117852-95-6
• SMILES: C(C1NC(=O)C(NC1=O)CCCN([O-])C(=O)C)CCN([O-])C(=O)\C=C(/CCOC(=O)C(N(C)C)CCCN([O-])C(=O)\C=C(\CCO)C)C.[Fe+3]
• InChI: 1S/C31H49N6O11.Fe/c1-21(12-17-38)19-27(40)37(47)16-8-11-26(34(4)5)31(44)48-18-13-22(2)20-28(41)36(46)15-7-10-25-30(43)32-24(29(42)33-25)9-6-14-35(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: HHCPFOYNEPECCX-ONBUGDHTSA-N