3-[2-[[1-[(3-methyl-1-oxidanyl-1-oxidanylidene-butan-2-yl)amino]-1-oxidanylidene-3-sulfanyl-propan-2-yl]amino]-2-oxidanylidene-ethyl]benzoic acid

Systemtic Name: 3-[2-[[1-[(3-methyl-1-oxidanyl-1-oxidanylidene-butan-2-yl)amino]-1-oxidanylidene-3-sulfanyl-propan-2-yl]amino]-2-oxidanylidene-ethyl]benzoic acid Openeye Name: 3-[2-[[2-[(1-carboxy-2-methyl-propyl)amino]-2-oxo-1-(sulfanylmethyl)ethyl]amino]-2-oxo-ethyl]benzoic acid CAS Name: 3-[2-[[1-[(1-hydroxy-3-methyl-1-oxobutan-2-yl)amino]-3-mercapto-1-oxopropan-2-yl]amino]-2-oxoethyl]benzoic acid IUPAC Name: 3-[2-[[1-[(1-hydroxy-3-methyl-1-oxobutan-2-yl)amino]-1-oxo-3-sulfanylpropan-2-yl]amino]-2-oxoethyl]benzoic acid Traditional Name: 3-[2-[[2-[(1-carboxy-2-methyl-propyl)amino]-2-keto-1-(mercaptomethyl)ethyl]amino]-2-keto-ethyl]benzoic acid Formula: C17H22N2O6S MolecularWeight: 382.43138

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)O)NC(=O)C(CS)NC(=O)CC1=CC=CC(=C1)C(=O)O

Isomeric SMILES

CC(C)C(C(=O)O)NC(=O)C(CS)NC(=O)CC1=CC=CC(=C1)C(=O)O

InChI

InChI=1S/C17H22N2O6S/c1-9(2)14(17(24)25)19-15(21)12(8-26)18-13(20)7-10-4-3-5-11(6-10)16(22)23/h3-6,9,12,14,26H,7-8H2,1-2H3,(H,18,20)(H,19,21)(H,22,23)(H,24,25)