2-(3-cyclopentyl-3-oxidanylidene-propyl)sulfanylethyl (2S)-2-phenyl-2-(phenylmethoxycarbonylamino)ethanoate; iron(2+)

Systemtic Name: 2-(3-cyclopentyl-3-oxidanylidene-propyl)sulfanylethyl (2S)-2-phenyl-2-(phenylmethoxycarbonylamino)ethanoate; iron(2+) Openeye Name: ferrous 2-(3-cyclopentyl-3-oxo-propyl)sulfanylethyl (2S)-2-(benzyloxycarbonylamino)-2-phenyl-acetate CAS Name: iron(2+); (2S)-2-phenyl-2-(phenylmethoxycarbonylamino)acetic acid 2-[(3-cyclopentyl-3-oxopropyl)thio]ethyl ester IUPAC Name: 2-(3-cyclopentyl-3-oxopropyl)sulfanylethyl (2S)-2-phenyl-2-(phenylmethoxycarbonylamino)acetate; iron(2+) Traditional Name: ferrous (2S)-2-(benzyloxycarbonylamino)-2-phenyl-acetic acid 2-[(3-cyclopentyl-3-keto-propyl)thio]ethyl ester Formula: C52H52FeN2O10S2+2 MolecularWeight: 984.95168

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)NC(C2=CC=CC=C2)C(=O)OCCSCCC(=O)[C]3[CH][CH][CH][CH]3.C1=CC=C(C=C1)COC(=O)NC(C2=CC=CC=C2)C(=O)OCCSCCC(=O)[C]3[CH][CH][CH][CH]3.[Fe+2]

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)N[C@@H](C2=CC=CC=C2)C(=O)OCCSCCC(=O)[C]3[CH][CH][CH][CH]3.C1=CC=C(C=C1)COC(=O)N[C@@H](C2=CC=CC=C2)C(=O)OCCSCCC(=O)[C]3[CH][CH][CH][CH]3.[Fe+2]

InChI

InChI=1S/2C26H26NO5S.Fe/c2*28-23(21-11-7-8-12-21)15-17-33-18-16-31-25(29)24(22-13-5-2-6-14-22)27-26(30)32-19-20-9-3-1-4-10-20;/h2*1-14,24H,15-19H2,(H,27,30);/q;;+2/t2*24-;/m00./s1