4-[[3-(2-azanyl-2-oxidanylidene-ethyl)sulfanylpropanoylamino]methyl]benzoic acid

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CNC(=O)CCSCC(=O)N)C(=O)O

Isomeric SMILES

C1=CC(=CC=C1CNC(=O)CCSCC(=O)N)C(=O)O

InChI

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