(2S)-2-acetamido-4-[2-oxidanylidene-2-[phenyl(propan-2-yl)amino]ethyl]sulfanyl-butanoic acid

Systemtic Name: (2S)-2-acetamido-4-[2-oxidanylidene-2-[phenyl(propan-2-yl)amino]ethyl]sulfanyl-butanoic acid Openeye Name: (2S)-2-acetamido-4-[2-(N-isopropylanilino)-2-oxo-ethyl]sulfanyl-butanoic acid CAS Name: (2S)-2-acetamido-4-[[2-oxo-2-(N-propan-2-ylanilino)ethyl]thio]butanoic acid IUPAC Name: (2S)-2-acetamido-4-[2-oxo-2-(N-propan-2-ylanilino)ethyl]sulfanylbutanoic acid Traditional Name: (2S)-2-acetamido-4-[[2-(N-isopropylanilino)-2-keto-ethyl]thio]butyric acid Formula: C17H24N2O4S MolecularWeight: 352.44846

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H24N2O4S/c1-12(2)19(14-7-5-4-6-8-14)16(21)11-24-10-9-15(17(22)23)18-13(3)20/h4-8,12,15H,9-11H2,1-3H3,(H,18,20)(H,22,23)/t15-/m0/s1