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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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