(4S)-5-[[(2S)-4-methylsulfanyl-1-oxidanidyl-1-oxidanylidene-butan-2-yl]amino]-5-oxidanylidene-4-(phenylmethoxycarbonylamino)pentanoate

Systemtic Name: (4S)-5-[[(2S)-4-methylsulfanyl-1-oxidanidyl-1-oxidanylidene-butan-2-yl]amino]-5-oxidanylidene-4-(phenylmethoxycarbonylamino)pentanoate Openeye Name: (4S)-4-(benzyloxycarbonylamino)-5-[[(1S)-1-carboxylato-3-methylsulfanyl-propyl]amino]-5-oxo-pentanoate CAS Name: (4S)-5-[[(2S)-4-(methylthio)-1-oxido-1-oxobutan-2-yl]amino]-5-oxo-4-(phenylmethoxycarbonylamino)pentanoate IUPAC Name: (4S)-5-[[(2S)-4-methylsulfanyl-1-oxido-1-oxobutan-2-yl]amino]-5-oxo-4-(phenylmethoxycarbonylamino)pentanoate Traditional Name: (4S)-4-(benzyloxycarbonylamino)-5-[[(1S)-1-carboxylato-3-(methylthio)propyl]amino]-5-keto-valerate Formula: C18H22N2O7S-2 MolecularWeight: 410.44148

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H24N2O7S/c1-28-10-9-14(17(24)25)19-16(23)13(7-8-15(21)22)20-18(26)27-11-12-5-3-2-4-6-12/h2-6,13-14H,7-11H2,1H3,(H,19,23)(H,20,26)(H,21,22)(H,24,25)/p-2/t13-,14-/m0/s1