2-azanyl-5-[[3-(4-bromophenyl)sulfanyl-1-(carboxymethylamino)-1-oxidanylidene-propan-2-yl]amino]-5-oxidanylidene-pentanoic acid

Systemtic Name: 2-azanyl-5-[[3-(4-bromophenyl)sulfanyl-1-(carboxymethylamino)-1-oxidanylidene-propan-2-yl]amino]-5-oxidanylidene-pentanoic acid Openeye Name: 2-amino-5-[[1-[(4-bromophenyl)sulfanylmethyl]-2-(carboxymethylamino)-2-oxo-ethyl]amino]-5-oxo-pentanoic acid CAS Name: 2-amino-5-[[3-[(4-bromophenyl)thio]-1-(carboxymethylamino)-1-oxopropan-2-yl]amino]-5-oxopentanoic acid IUPAC Name: 2-amino-5-[[3-(4-bromophenyl)sulfanyl-1-(carboxymethylamino)-1-oxopropan-2-yl]amino]-5-oxopentanoic acid Traditional Name: 2-amino-5-[[1-[[(4-bromophenyl)thio]methyl]-2-(carboxymethylamino)-2-keto-ethyl]amino]-5-keto-valeric acid Formula: C16H20BrN3O6S MolecularWeight: 462.3155

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H20BrN3O6S/c17-9-1-3-10(4-2-9)27-8-12(15(24)19-7-14(22)23)20-13(21)6-5-11(18)16(25)26/h1-4,11-12H,5-8,18H2,(H,19,24)(H,20,21)(H,22,23)(H,25,26)