6-[2-(2-oxidanylidene-2-phenylazanyl-ethyl)sulfanylethanoylamino]hexanoic acid

Systemtic Name: 6-[2-(2-oxidanylidene-2-phenylazanyl-ethyl)sulfanylethanoylamino]hexanoic acid Openeye Name: 6-[[2-(2-anilino-2-oxo-ethyl)sulfanylacetyl]amino]hexanoic acid CAS Name: 6-[[2-[(2-anilino-2-oxoethyl)thio]-1-oxoethyl]amino]hexanoic acid IUPAC Name: 6-[[2-(2-anilino-2-oxoethyl)sulfanylacetyl]amino]hexanoic acid Traditional Name: 6-[[2-[(2-anilino-2-keto-ethyl)thio]acetyl]amino]hexanoic acid Formula: C16H22N2O4S MolecularWeight: 338.42188

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H22N2O4S/c19-14(17-10-6-2-5-9-16(21)22)11-23-12-15(20)18-13-7-3-1-4-8-13/h1,3-4,7-8H,2,5-6,9-12H2,(H,17,19)(H,18,20)(H,21,22)