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

Systemtic Name: 4-[2-[3-(2-azanyl-2-oxidanylidene-ethyl)sulfanylpropanoylamino]ethyl]benzoic acid Openeye Name: 4-[2-[3-(2-amino-2-oxo-ethyl)sulfanylpropanoylamino]ethyl]benzoic acid CAS Name: 4-[2-[[3-[(2-amino-2-oxoethyl)thio]-1-oxopropyl]amino]ethyl]benzoic acid IUPAC Name: 4-[2-[3-(2-amino-2-oxoethyl)sulfanylpropanoylamino]ethyl]benzoic acid Traditional Name: 4-[2-[3-[(2-amino-2-keto-ethyl)thio]propanoylamino]ethyl]benzoic acid Formula: C14H18N2O4S MolecularWeight: 310.36872

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CCNC(=O)CCSCC(=O)N)C(=O)O

Isomeric SMILES

C1=CC(=CC=C1CCNC(=O)CCSCC(=O)N)C(=O)O

InChI

InChI=1S/C14H18N2O4S/c15-12(17)9-21-8-6-13(18)16-7-5-10-1-3-11(4-2-10)14(19)20/h1-4H,5-9H2,(H2,15,17)(H,16,18)(H,19,20)