iron(2+); methyl (2S)-2-(cyclopentylcarbonylamino)-3-phenyl-propanoate

Systemtic Name: iron(2+); methyl (2S)-2-(cyclopentylcarbonylamino)-3-phenyl-propanoate Openeye Name: ferrous methyl (2S)-2-(cyclopentanecarbonylamino)-3-phenyl-propanoate CAS Name: (2S)-2-[[cyclopentyl(oxo)methyl]amino]-3-phenylpropanoic acid methyl ester; iron(2+) IUPAC Name: iron(2+); methyl (2S)-2-(cyclopentanecarbonylamino)-3-phenylpropanoate Traditional Name: ferrous (2S)-2-(cyclopentanecarbonylamino)-3-phenyl-propionic acid methyl ester Formula: C32H32FeN2O6+2 MolecularWeight: 596.45128

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CC=CC=C1)NC(=O)[C]2[CH][CH][CH][CH]2.COC(=O)C(CC1=CC=CC=C1)NC(=O)[C]2[CH][CH][CH][CH]2.[Fe+2]

Isomeric SMILES

COC(=O)[C@H](CC1=CC=CC=C1)NC(=O)[C]2[CH][CH][CH][CH]2.COC(=O)[C@H](CC1=CC=CC=C1)NC(=O)[C]2[CH][CH][CH][CH]2.[Fe+2]

InChI

InChI=1S/2C16H16NO3.Fe/c2*1-20-16(19)14(11-12-7-3-2-4-8-12)17-15(18)13-9-5-6-10-13;/h2*2-10,14H,11H2,1H3,(H,17,18);/q;;+2/t2*14-;/m00./s1