iron(2+); methyl (2R)-2-(cyclopentylcarbonylamino)-3-[[(2S)-2-(cyclopentylcarbonylamino)-3-methoxy-3-oxidanylidene-propyl]disulfanyl]propanoate

Systemtic Name: iron(2+); methyl (2R)-2-(cyclopentylcarbonylamino)-3-[[(2S)-2-(cyclopentylcarbonylamino)-3-methoxy-3-oxidanylidene-propyl]disulfanyl]propanoate Openeye Name: diferrous methyl (2R)-2-(cyclopentanecarbonylamino)-3-[[(2S)-2-(cyclopentanecarbonylamino)-3-methoxy-3-oxo-propyl]disulfanyl]propanoate CAS Name: (2R)-2-[[cyclopentyl(oxo)methyl]amino]-3-[[(2S)-2-[[cyclopentyl(oxo)methyl]amino]-3-methoxy-3-oxopropyl]disulfanyl]propanoic acid methyl ester; iron(2+) IUPAC Name: iron(2+); methyl (2R)-2-(cyclopentanecarbonylamino)-3-[[(2S)-2-(cyclopentanecarbonylamino)-3-methoxy-3-oxopropyl]disulfanyl]propanoate Traditional Name: diferrous (2R)-2-(cyclopentanecarbonylamino)-3-[[(2S)-2-(cyclopentanecarbonylamino)-3-keto-3-methoxy-propyl]disulfanyl]propionic acid methyl ester Formula: C40H44Fe2N4O12S4+4 MolecularWeight: 1012.74696

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CSSCC(C(=O)OC)NC(=O)[C]1[CH][CH][CH][CH]1)NC(=O)[C]2[CH][CH][CH][CH]2.COC(=O)C(CSSCC(C(=O)OC)NC(=O)[C]1[CH][CH][CH][CH]1)NC(=O)[C]2[CH][CH][CH][CH]2.[Fe+2].[Fe+2]

Isomeric SMILES

COC(=O)[C@@H](CSSC[C@@H](C(=O)OC)NC(=O)[C]1[CH][CH][CH][CH]1)NC(=O)[C]2[CH][CH][CH][CH]2.COC(=O)[C@@H](CSSC[C@@H](C(=O)OC)NC(=O)[C]1[CH][CH][CH][CH]1)NC(=O)[C]2[CH][CH][CH][CH]2.[Fe+2].[Fe+2]

InChI

InChI=1S/2C20H22N2O6S2.2Fe/c2*1-27-19(25)15(21-17(23)13-7-3-4-8-13)11-29-30-12-16(20(26)28-2)22-18(24)14-9-5-6-10-14;;/h2*3-10,15-16H,11-12H2,1-2H3,(H,21,23)(H,22,24);;/q;;2*+2/t2*15-,16+;;