(2R)-2-acetamido-3-[2-oxidanylidene-2-[phenyl(propan-2-yl)amino]ethyl]sulfanyl-propanoic acid

Systemtic Name: (2R)-2-acetamido-3-[2-oxidanylidene-2-[phenyl(propan-2-yl)amino]ethyl]sulfanyl-propanoic acid Openeye Name: (2R)-2-acetamido-3-[2-(N-isopropylanilino)-2-oxo-ethyl]sulfanyl-propanoic acid CAS Name: (2R)-2-acetamido-3-[[2-oxo-2-(N-propan-2-ylanilino)ethyl]thio]propanoic acid IUPAC Name: (2R)-2-acetamido-3-[2-oxo-2-(N-propan-2-ylanilino)ethyl]sulfanylpropanoic acid Traditional Name: (2R)-2-acetamido-3-[[2-(N-isopropylanilino)-2-keto-ethyl]thio]propionic acid Formula: C16H22N2O4S MolecularWeight: 338.42188

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H22N2O4S/c1-11(2)18(13-7-5-4-6-8-13)15(20)10-23-9-14(16(21)22)17-12(3)19/h4-8,11,14H,9-10H2,1-3H3,(H,17,19)(H,21,22)/t14-/m0/s1