(2S)-4-methylsulfanyl-2-[[4-[[(2R)-4-methylsulfanyl-1-oxidanidyl-1-oxidanylidene-butan-2-yl]carbamoyl]phenyl]carbonylamino]butanoate

Systemtic Name: (2S)-4-methylsulfanyl-2-[[4-[[(2R)-4-methylsulfanyl-1-oxidanidyl-1-oxidanylidene-butan-2-yl]carbamoyl]phenyl]carbonylamino]butanoate Openeye Name: (2S)-2-[[4-[[(1R)-1-carboxylato-3-methylsulfanyl-propyl]carbamoyl]benzoyl]amino]-4-methylsulfanyl-butanoate CAS Name: (2S)-4-(methylthio)-2-[[[4-[[[(2R)-4-(methylthio)-1-oxido-1-oxobutan-2-yl]amino]-oxomethyl]phenyl]-oxomethyl]amino]butanoate IUPAC Name: (2S)-4-methylsulfanyl-2-[[4-[[(2R)-4-methylsulfanyl-1-oxido-1-oxobutan-2-yl]carbamoyl]benzoyl]amino]butanoate Traditional Name: (2S)-2-[[4-[[(1R)-1-carboxylato-3-(methylthio)propyl]carbamoyl]benzoyl]amino]-4-(methylthio)butyrate Formula: C18H22N2O6S2-2 MolecularWeight: 426.50708

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H24N2O6S2/c1-27-9-7-13(17(23)24)19-15(21)11-3-5-12(6-4-11)16(22)20-14(18(25)26)8-10-28-2/h3-6,13-14H,7-10H2,1-2H3,(H,19,21)(H,20,22)(H,23,24)(H,25,26)/p-2/t13-,14+