2-[4-[3-(2-azanyl-2-oxidanylidene-ethyl)sulfanylpropanoylamino]phenyl]ethanoic acid

Systemtic Name: 2-[4-[3-(2-azanyl-2-oxidanylidene-ethyl)sulfanylpropanoylamino]phenyl]ethanoic acid Openeye Name: 2-[4-[3-(2-amino-2-oxo-ethyl)sulfanylpropanoylamino]phenyl]acetic acid CAS Name: 2-[4-[[3-[(2-amino-2-oxoethyl)thio]-1-oxopropyl]amino]phenyl]acetic acid IUPAC Name: 2-[4-[3-(2-amino-2-oxoethyl)sulfanylpropanoylamino]phenyl]acetic acid Traditional Name: 2-[4-[3-[(2-amino-2-keto-ethyl)thio]propanoylamino]phenyl]acetic acid Formula: C13H16N2O4S MolecularWeight: 296.34214

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CC(=O)O)NC(=O)CCSCC(=O)N

Isomeric SMILES

C1=CC(=CC=C1CC(=O)O)NC(=O)CCSCC(=O)N

InChI

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