[(Z)-5-[3-[5-[3-[ethanoyl(oxidanidyl)amino]propyl]-3,6-bis(oxidanylidene)piperazin-2-yl]propyl-oxidanidyl-amino]-3-methyl-5-oxidanylidene-pent-3-enyl] 2-acetamido-5-[[(E)-3-methyl-4,5-bis(oxidanyl)pent-2-enoyl]-oxidanidyl-amino]pentanoate; iron(3+)

Systemtic Name: [(Z)-5-[3-[5-[3-[ethanoyl(oxidanidyl)amino]propyl]-3,6-bis(oxidanylidene)piperazin-2-yl]propyl-oxidanidyl-amino]-3-methyl-5-oxidanylidene-pent-3-enyl] 2-acetamido-5-[[(E)-3-methyl-4,5-bis(oxidanyl)pent-2-enoyl]-oxidanidyl-amino]pentanoate; iron(3+) Openeye Name: 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 CAS Name: 2-acetamido-5-[[(E)-4,5-dihydroxy-3-methyl-1-oxopent-2-enyl]-oxidoamino]pentanoic acid [(Z)-5-[3-[5-[3-[acetyl(oxido)amino]propyl]-3,6-dioxo-2-piperazinyl]propyl-oxidoamino]-3-methyl-5-oxopent-3-enyl] ester; iron(3+) IUPAC Name: [(Z)-5-[3-[5-[3-[acetyl(oxido)amino]propyl]-3,6-dioxopiperazin-2-yl]propyl-oxidoamino]-3-methyl-5-oxopent-3-enyl] 2-acetamido-5-[[(E)-4,5-dihydroxy-3-methylpent-2-enoyl]-oxidoamino]pentanoate; iron(3+) Traditional Name: 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 Formula: C31H47FeN6O13 MolecularWeight: 767.58228

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=CC(=O)N(CCCC1C(=O)NC(C(=O)N1)CCCN(C(=O)C)[O-])[O-])CCOC(=O)C(CCCN(C(=O)C=C(C)C(CO)O)[O-])NC(=O)C.[Fe+3]

Isomeric SMILES

C/C(=C/C(=O)N(CCCC1C(=O)NC(C(=O)N1)CCCN(C(=O)C)[O-])[O-])/CCOC(=O)C(CCCN(C(=O)/C=C(\C)/C(CO)O)[O-])NC(=O)C.[Fe+3]

InChI

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+;