5-azanyl-2-[2-(4-bromophenyl)sulfanylethanoylamino]-5-oxidanylidene-pentanoic acid

Systemtic Name: 5-azanyl-2-[2-(4-bromophenyl)sulfanylethanoylamino]-5-oxidanylidene-pentanoic acid Openeye Name: 5-amino-2-[[2-(4-bromophenyl)sulfanylacetyl]amino]-5-oxo-pentanoic acid CAS Name: 5-amino-2-[[2-[(4-bromophenyl)thio]-1-oxoethyl]amino]-5-oxopentanoic acid IUPAC Name: 5-amino-2-[[2-(4-bromophenyl)sulfanylacetyl]amino]-5-oxopentanoic acid Traditional Name: 5-amino-2-[[2-[(4-bromophenyl)thio]acetyl]amino]-5-keto-valeric acid Formula: C13H15BrN2O4S MolecularWeight: 375.2382

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1SCC(=O)NC(CCC(=O)N)C(=O)O)Br

Isomeric SMILES

C1=CC(=CC=C1SCC(=O)NC(CCC(=O)N)C(=O)O)Br

InChI

InChI=1S/C13H15BrN2O4S/c14-8-1-3-9(4-2-8)21-7-12(18)16-10(13(19)20)5-6-11(15)17/h1-4,10H,5-7H2,(H2,15,17)(H,16,18)(H,19,20)