N-[(2S)-1-(2-azanylethylamino)-1-oxidanylidene-3-phenyl-propan-2-yl]cyclopentanecarboxamide; iron(2+)

Systemtic Name: N-[(2S)-1-(2-azanylethylamino)-1-oxidanylidene-3-phenyl-propan-2-yl]cyclopentanecarboxamide; iron(2+) Openeye Name: ferrous N-[(1S)-2-(2-aminoethylamino)-1-benzyl-2-oxo-ethyl]cyclopentanecarboxamide CAS Name: N-[(2S)-1-(2-aminoethylamino)-1-oxo-3-phenylpropan-2-yl]cyclopentanecarboxamide; iron(2+) IUPAC Name: N-[(2S)-1-(2-aminoethylamino)-1-oxo-3-phenylpropan-2-yl]cyclopentanecarboxamide; iron(2+) Traditional Name: ferrous N-[(1S)-2-(2-aminoethylamino)-1-benzyl-2-keto-ethyl]cyclopentanecarboxamide Formula: C34H40FeN6O4+2 MolecularWeight: 652.5642

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/2C17H20N3O2.Fe/c2*18-10-11-19-17(22)15(12-13-6-2-1-3-7-13)20-16(21)14-8-4-5-9-14;/h2*1-9,15H,10-12,18H2,(H,19,22)(H,20,21);/q;;+2/t2*15-;/m00./s1