2-azanyl-3-[2-oxidanylidene-2-(2-phenylpropylamino)ethyl]sulfanyl-propanoic acid

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H20N2O3S/c1-10(11-5-3-2-4-6-11)7-16-13(17)9-20-8-12(15)14(18)19/h2-6,10,12H,7-9,15H2,1H3,(H,16,17)(H,18,19)