2-[2-(4-bromophenyl)sulfanylethanoylamino]pentanoic acid

Systemtic Name: 2-[2-(4-bromophenyl)sulfanylethanoylamino]pentanoic acid Openeye Name: 2-[[2-(4-bromophenyl)sulfanylacetyl]amino]pentanoic acid CAS Name: 2-[[2-[(4-bromophenyl)thio]-1-oxoethyl]amino]pentanoic acid IUPAC Name: 2-[[2-(4-bromophenyl)sulfanylacetyl]amino]pentanoic acid Traditional Name: 2-[[2-[(4-bromophenyl)thio]acetyl]amino]valeric acid Formula: C13H16BrNO3S MolecularWeight: 346.24004

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C(=O)O)NC(=O)CSC1=CC=C(C=C1)Br

Isomeric SMILES

CCCC(C(=O)O)NC(=O)CSC1=CC=C(C=C1)Br

InChI

InChI=1S/C13H16BrNO3S/c1-2-3-11(13(17)18)15-12(16)8-19-10-6-4-9(14)5-7-10/h4-7,11H,2-3,8H2,1H3,(H,15,16)(H,17,18)