(4S)-4-benzamido-5-[[(2S)-4-methylsulfanyl-1-oxidanyl-1-oxidanylidene-butan-2-yl]amino]-5-oxidanylidene-pentanoic acid

Systemtic Name: (4S)-4-benzamido-5-[[(2S)-4-methylsulfanyl-1-oxidanyl-1-oxidanylidene-butan-2-yl]amino]-5-oxidanylidene-pentanoic acid Openeye Name: (4S)-4-benzamido-5-[[(1S)-1-carboxy-3-methylsulfanyl-propyl]amino]-5-oxo-pentanoic acid CAS Name: (4S)-4-benzamido-5-[[(2S)-1-hydroxy-4-(methylthio)-1-oxobutan-2-yl]amino]-5-oxopentanoic acid IUPAC Name: (4S)-4-benzamido-5-[[(2S)-1-hydroxy-4-methylsulfanyl-1-oxobutan-2-yl]amino]-5-oxopentanoic acid Traditional Name: (4S)-4-benzamido-5-[[(1S)-1-carboxy-3-(methylthio)propyl]amino]-5-keto-valeric acid Formula: C17H22N2O6S MolecularWeight: 382.43138

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)O)NC(=O)C(CCC(=O)O)NC(=O)C1=CC=CC=C1

Isomeric SMILES

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

InChI

InChI=1S/C17H22N2O6S/c1-26-10-9-13(17(24)25)19-16(23)12(7-8-14(20)21)18-15(22)11-5-3-2-4-6-11/h2-6,12-13H,7-10H2,1H3,(H,18,22)(H,19,23)(H,20,21)(H,24,25)/t12-,13-/m0/s1