[(2S)-1-oxidanylidene-1-(propan-2-ylcarbamoylamino)propan-2-yl] 3-(4-methylphenyl)sulfanylpropanoate

Systemtic Name: [(2S)-1-oxidanylidene-1-(propan-2-ylcarbamoylamino)propan-2-yl] 3-(4-methylphenyl)sulfanylpropanoate Openeye Name: [(1S)-2-(isopropylcarbamoylamino)-1-methyl-2-oxo-ethyl] 3-(p-tolylsulfanyl)propanoate CAS Name: 3-[(4-methylphenyl)thio]propanoic acid [(2S)-1-oxo-1-[[oxo-(propan-2-ylamino)methyl]amino]propan-2-yl] ester IUPAC Name: [(2S)-1-oxo-1-(propan-2-ylcarbamoylamino)propan-2-yl] 3-(4-methylphenyl)sulfanylpropanoate Traditional Name: 3-(p-tolylthio)propionic acid [(1S)-2-(isopropylcarbamoylamino)-2-keto-1-methyl-ethyl] ester Formula: C17H24N2O4S MolecularWeight: 352.44846

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SCCC(=O)OC(C)C(=O)NC(=O)NC(C)C

Isomeric SMILES

CC1=CC=C(C=C1)SCCC(=O)O[C@@H](C)C(=O)NC(=O)NC(C)C

InChI

InChI=1S/C17H24N2O4S/c1-11(2)18-17(22)19-16(21)13(4)23-15(20)9-10-24-14-7-5-12(3)6-8-14/h5-8,11,13H,9-10H2,1-4H3,(H2,18,19,21,22)/t13-/m0/s1