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

Systemtic Name: iron(3+); [(Z)-3-methyl-5-[3-[5-[3-[[(Z)-3-methyl-5-oxidanyl-pent-2-enoyl]-oxidanidyl-amino]propyl]-3,6-bis(oxidanylidene)piperazin-2-yl]propyl-oxidanidyl-amino]-5-oxidanylidene-pent-3-enyl] 2-(dimethylamino)-5-[[(E)-3-methyl-5-oxidanyl-pent-2-enoyl]-oxidanidyl-amino]pentanoate Openeye Name: 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-(dimethylamino)-5-[[(E)-5-hydroxy-3-methyl-pent-2-enoyl]-oxido-amino]pentanoate CAS Name: 2-(dimethylamino)-5-[[(E)-5-hydroxy-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; iron(3+) IUPAC Name: [(Z)-5-[3-[5-[3-[[(Z)-5-hydroxy-3-methylpent-2-enoyl]-oxidoamino]propyl]-3,6-dioxopiperazin-2-yl]propyl-oxidoamino]-3-methyl-5-oxopent-3-enyl] 2-(dimethylamino)-5-[[(E)-5-hydroxy-3-methylpent-2-enoyl]-oxidoamino]pentanoate; iron(3+) Traditional Name: ferric 2-(dimethylamino)-5-[[(E)-5-hydroxy-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 Formula: C35H55FeN6O12 MolecularWeight: 807.6892

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C35H55N6O12.Fe/c1-24(12-18-42)21-30(44)39(50)15-6-9-27-33(47)37-28(34(48)36-27)10-7-16-40(51)32(46)23-26(3)14-20-53-35(49)29(38(4)5)11-8-17-41(52)31(45)22-25(2)13-19-43;/h21-23,27-29,42-43H,6-20H2,1-5H3,(H,36,48)(H,37,47);/q-3;+3/b24-21-,25-22+,26-23-;