bis(3,5-dimethylphenyl)-[(1R)-1-(2-diphenylphosphanylcyclopentyl)ethyl]phosphane; 3-[3-(2-carboxyethyloxy)-2-(2-carboxyethyloxymethyl)-2-(cyclopentylmethylcarbamoylamino)propoxy]propanoic acid; iron(2+)

Systemtic Name: bis(3,5-dimethylphenyl)-[(1R)-1-(2-diphenylphosphanylcyclopentyl)ethyl]phosphane; 3-[3-(2-carboxyethyloxy)-2-(2-carboxyethyloxymethyl)-2-(cyclopentylmethylcarbamoylamino)propoxy]propanoic acid; iron(2+) Openeye Name: ferrous; bis(3,5-dimethylphenyl)-[(1R)-1-(2-diphenylphosphanylcyclopentyl)ethyl]phosphane; 3-[3-(2-carboxyethyloxy)-2-(2-carboxyethyloxymethyl)-2-(cyclopentylmethylcarbamoylamino)propoxy]propanoic acid CAS Name: bis(3,5-dimethylphenyl)-[(1R)-1-(2-diphenylphosphinocyclopentyl)ethyl]phosphine; 3-[3-(2-carboxyethyloxy)-2-(2-carboxyethyloxymethyl)-2-[[(cyclopentylmethylamino)-oxomethyl]amino]propoxy]propanoic acid; iron(2+) IUPAC Name: bis(3,5-dimethylphenyl)-[(1R)-1-(2-diphenylphosphanylcyclopentyl)ethyl]phosphane; 3-[3-(2-carboxyethyloxy)-2-(2-carboxyethyloxymethyl)-2-(cyclopentylmethylcarbamoylamino)propoxy]propanoic acid; iron(2+) Traditional Name: ferrous; bis(3,5-dimethylphenyl)-[(1R)-1-(2-diphenylphosphinocyclopentyl)ethyl]phosphine; 3-[3-(2-carboxyethyloxy)-2-(2-carboxyethyloxymethyl)-2-(cyclopentylmethylcarbamoylamino)propoxy]propionic acid Formula: C55H64FeN2O10P2+2 MolecularWeight: 1030.896582

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)P(C2=CC(=CC(=C2)C)C)C(C)[C]3[CH][CH][CH][C]3P(C4=CC=CC=C4)C5=CC=CC=C5)C.[CH]1[CH][CH][C]([CH]1)CNC(=O)NC(COCCC(=O)O)(COCCC(=O)O)COCCC(=O)O.[Fe+2]

Isomeric SMILES

CC1=CC(=CC(=C1)P(C2=CC(=CC(=C2)C)C)[C@H](C)[C]3[CH][CH][CH][C]3P(C4=CC=CC=C4)C5=CC=CC=C5)C.[CH]1[CH][CH][C]([CH]1)CNC(=O)NC(COCCC(=O)O)(COCCC(=O)O)COCCC(=O)O.[Fe+2]

InChI

InChI=1S/C35H35P2.C20H29N2O10.Fe/c1-25-19-26(2)22-32(21-25)36(33-23-27(3)20-28(4)24-33)29(5)34-17-12-18-35(34)37(30-13-8-6-9-14-30)31-15-10-7-11-16-31;23-16(24)5-8-30-12-20(13-31-9-6-17(25)26,14-32-10-7-18(27)28)22-19(29)21-11-15-3-1-2-4-15;/h6-24,29H,1-5H3;1-4H,5-14H2,(H,23,24)(H,25,26)(H,27,28)(H2,21,22,29);/q;;+2/t29-;;/m1../s1