2-[3-(2-azanyl-2-oxidanylidene-ethyl)sulfanylpropanoylamino]-2-phenyl-ethanoic acid

Systemtic Name: 2-[3-(2-azanyl-2-oxidanylidene-ethyl)sulfanylpropanoylamino]-2-phenyl-ethanoic acid Openeye Name: 2-[3-(2-amino-2-oxo-ethyl)sulfanylpropanoylamino]-2-phenyl-acetic acid CAS Name: 2-[[3-[(2-amino-2-oxoethyl)thio]-1-oxopropyl]amino]-2-phenylacetic acid IUPAC Name: 2-[3-(2-amino-2-oxoethyl)sulfanylpropanoylamino]-2-phenylacetic acid Traditional Name: 2-[3-[(2-amino-2-keto-ethyl)thio]propanoylamino]-2-phenyl-acetic acid Formula: C13H16N2O4S MolecularWeight: 296.34214

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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