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

Systemtic Name: 2-acetamido-5-[[3-[(4-bromophenyl)methylsulfanyl]-1-(carboxymethylamino)-1-oxidanylidene-propan-2-yl]amino]-5-oxidanylidene-pentanoic acid Openeye Name: 2-acetamido-5-[[1-[(4-bromophenyl)methylsulfanylmethyl]-2-(carboxymethylamino)-2-oxo-ethyl]amino]-5-oxo-pentanoic acid CAS Name: 2-acetamido-5-[[3-[(4-bromophenyl)methylthio]-1-(carboxymethylamino)-1-oxopropan-2-yl]amino]-5-oxopentanoic acid IUPAC Name: 2-acetamido-5-[[3-[(4-bromophenyl)methylsulfanyl]-1-(carboxymethylamino)-1-oxopropan-2-yl]amino]-5-oxopentanoic acid Traditional Name: 2-acetamido-5-[[1-[[(4-bromobenzyl)thio]methyl]-2-(carboxymethylamino)-2-keto-ethyl]amino]-5-keto-valeric acid Formula: C19H24BrN3O7S MolecularWeight: 518.37876

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CCC(=O)NC(CSCC1=CC=C(C=C1)Br)C(=O)NCC(=O)O)C(=O)O

Isomeric SMILES

CC(=O)NC(CCC(=O)NC(CSCC1=CC=C(C=C1)Br)C(=O)NCC(=O)O)C(=O)O

InChI

InChI=1S/C19H24BrN3O7S/c1-11(24)22-14(19(29)30)6-7-16(25)23-15(18(28)21-8-17(26)27)10-31-9-12-2-4-13(20)5-3-12/h2-5,14-15H,6-10H2,1H3,(H,21,28)(H,22,24)(H,23,25)(H,26,27)(H,29,30)