2-azanyl-3-[2-oxidanylidene-2-[(2-propan-2-ylphenyl)amino]ethyl]sulfanyl-propanoic acid

Systemtic Name: 2-azanyl-3-[2-oxidanylidene-2-[(2-propan-2-ylphenyl)amino]ethyl]sulfanyl-propanoic acid Openeye Name: 2-amino-3-[2-(2-isopropylanilino)-2-oxo-ethyl]sulfanyl-propanoic acid CAS Name: 2-amino-3-[[2-oxo-2-(2-propan-2-ylanilino)ethyl]thio]propanoic acid IUPAC Name: 2-amino-3-[2-oxo-2-(2-propan-2-ylanilino)ethyl]sulfanylpropanoic acid Traditional Name: 2-amino-3-[[2-(2-isopropylanilino)-2-keto-ethyl]thio]propionic acid Formula: C14H20N2O3S MolecularWeight: 296.3852

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=CC=C1NC(=O)CSCC(C(=O)O)N

Isomeric SMILES

CC(C)C1=CC=CC=C1NC(=O)CSCC(C(=O)O)N

InChI

InChI=1S/C14H20N2O3S/c1-9(2)10-5-3-4-6-12(10)16-13(17)8-20-7-11(15)14(18)19/h3-6,9,11H,7-8,15H2,1-2H3,(H,16,17)(H,18,19)