(3S)-4-[[(2S)-4-methylsulfanyl-1-oxidanidyl-1-oxidanylidene-butan-2-yl]amino]-4-oxidanylidene-3-(phenylmethoxycarbonylamino)butanoate

Systemtic Name: (3S)-4-[[(2S)-4-methylsulfanyl-1-oxidanidyl-1-oxidanylidene-butan-2-yl]amino]-4-oxidanylidene-3-(phenylmethoxycarbonylamino)butanoate Openeye Name: (3S)-3-(benzyloxycarbonylamino)-4-[[(1S)-1-carboxylato-3-methylsulfanyl-propyl]amino]-4-oxo-butanoate CAS Name: (3S)-4-[[(2S)-4-(methylthio)-1-oxido-1-oxobutan-2-yl]amino]-4-oxo-3-(phenylmethoxycarbonylamino)butanoate IUPAC Name: (3S)-4-[[(2S)-4-methylsulfanyl-1-oxido-1-oxobutan-2-yl]amino]-4-oxo-3-(phenylmethoxycarbonylamino)butanoate Traditional Name: (3S)-3-(benzyloxycarbonylamino)-4-[[(1S)-1-carboxylato-3-(methylthio)propyl]amino]-4-keto-butyrate Formula: C17H20N2O7S-2 MolecularWeight: 396.4149

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)[O-])NC(=O)C(CC(=O)[O-])NC(=O)OCC1=CC=CC=C1

Isomeric SMILES

CSCC[C@@H](C(=O)[O-])NC(=O)[C@H](CC(=O)[O-])NC(=O)OCC1=CC=CC=C1

InChI

InChI=1S/C17H22N2O7S/c1-27-8-7-12(16(23)24)18-15(22)13(9-14(20)21)19-17(25)26-10-11-5-3-2-4-6-11/h2-6,12-13H,7-10H2,1H3,(H,18,22)(H,19,25)(H,20,21)(H,23,24)/p-2/t12-,13-/m0/s1