iron(2+); methyl (2R)-2-[[(2S)-2-(cyclopentylcarbonylamino)-4-methylsulfanyl-butanoyl]amino]-3-[[(2R)-2-[[(2S)-2-(cyclopentylcarbonylamino)-4-methylsulfanyl-butanoyl]amino]-3-methoxy-3-oxidanylidene-propyl]disulfanyl]propanoate

Systemtic Name: iron(2+); methyl (2R)-2-[[(2S)-2-(cyclopentylcarbonylamino)-4-methylsulfanyl-butanoyl]amino]-3-[[(2R)-2-[[(2S)-2-(cyclopentylcarbonylamino)-4-methylsulfanyl-butanoyl]amino]-3-methoxy-3-oxidanylidene-propyl]disulfanyl]propanoate Openeye Name: ferrous methyl (2R)-2-[[(2S)-2-(cyclopentanecarbonylamino)-4-methylsulfanyl-butanoyl]amino]-3-[[(2R)-2-[[(2S)-2-(cyclopentanecarbonylamino)-4-methylsulfanyl-butanoyl]amino]-3-methoxy-3-oxo-propyl]disulfanyl]propanoate CAS Name: (2R)-2-[[(2S)-2-[[cyclopentyl(oxo)methyl]amino]-4-(methylthio)-1-oxobutyl]amino]-3-[[(2R)-2-[[(2S)-2-[[cyclopentyl(oxo)methyl]amino]-4-(methylthio)-1-oxobutyl]amino]-3-methoxy-3-oxopropyl]disulfanyl]propanoic acid methyl ester; iron(2+) IUPAC Name: iron(2+); methyl (2R)-2-[[(2S)-2-(cyclopentanecarbonylamino)-4-methylsulfanylbutanoyl]amino]-3-[[(2R)-2-[[(2S)-2-(cyclopentanecarbonylamino)-4-methylsulfanylbutanoyl]amino]-3-methoxy-3-oxopropyl]disulfanyl]propanoate Traditional Name: ferrous (2R)-2-[[(2S)-2-(cyclopentanecarbonylamino)-4-(methylthio)butanoyl]amino]-3-[[(2R)-2-[[(2S)-2-(cyclopentanecarbonylamino)-4-(methylthio)butanoyl]amino]-3-keto-3-methoxy-propyl]disulfanyl]propionic acid methyl ester Formula: C30H40FeN4O8S4+2 MolecularWeight: 768.7656

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C30H40N4O8S4.Fe/c1-41-29(39)23(33-27(37)21(13-15-43-3)31-25(35)19-9-5-6-10-19)17-45-46-18-24(30(40)42-2)34-28(38)22(14-16-44-4)32-26(36)20-11-7-8-12-20;/h5-12,21-24H,13-18H2,1-4H3,(H,31,35)(H,32,36)(H,33,37)(H,34,38);/q;+2/t21-,22-,23-,24-;/m0./s1