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

Systemtic Name: 2-azanyl-3-[2-oxidanylidene-2-(2-phenylethanoylamino)ethyl]sulfanyl-propanoic acid Openeye Name: 2-amino-3-[2-oxo-2-[(2-phenylacetyl)amino]ethyl]sulfanyl-propanoic acid CAS Name: 2-amino-3-[[2-oxo-2-[(1-oxo-2-phenylethyl)amino]ethyl]thio]propanoic acid IUPAC Name: 2-amino-3-[2-oxo-2-[(2-phenylacetyl)amino]ethyl]sulfanylpropanoic acid Traditional Name: 2-amino-3-[[2-keto-2-[(2-phenylacetyl)amino]ethyl]thio]propionic acid Formula: C13H16N2O4S MolecularWeight: 296.34214

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H16N2O4S/c14-10(13(18)19)7-20-8-12(17)15-11(16)6-9-4-2-1-3-5-9/h1-5,10H,6-8,14H2,(H,18,19)(H,15,16,17)