4-[[4-methyl-2-[(4-oxidanyl-4-oxidanylidene-2-thiophen-2-yl-butanoyl)amino]pentanoyl]amino]benzoic acid

Systemtic Name: 4-[[4-methyl-2-[(4-oxidanyl-4-oxidanylidene-2-thiophen-2-yl-butanoyl)amino]pentanoyl]amino]benzoic acid Openeye Name: 4-[[2-[[4-hydroxy-4-oxo-2-(2-thienyl)butanoyl]amino]-4-methyl-pentanoyl]amino]benzoic acid CAS Name: 4-[[2-[(4-hydroxy-1,4-dioxo-2-thiophen-2-ylbutyl)amino]-4-methyl-1-oxopentyl]amino]benzoic acid IUPAC Name: 4-[[2-[(4-hydroxy-4-oxo-2-thiophen-2-ylbutanoyl)amino]-4-methylpentanoyl]amino]benzoic acid Traditional Name: 4-[[2-[[4-hydroxy-4-keto-2-(2-thienyl)butanoyl]amino]-4-methyl-pentanoyl]amino]benzoic acid Formula: C21H24N2O6S MolecularWeight: 432.49006

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NC1=CC=C(C=C1)C(=O)O)NC(=O)C(CC(=O)O)C2=CC=CS2

Isomeric SMILES

CC(C)CC(C(=O)NC1=CC=C(C=C1)C(=O)O)NC(=O)C(CC(=O)O)C2=CC=CS2

InChI

InChI=1S/C21H24N2O6S/c1-12(2)10-16(20(27)22-14-7-5-13(6-8-14)21(28)29)23-19(26)15(11-18(24)25)17-4-3-9-30-17/h3-9,12,15-16H,10-11H2,1-2H3,(H,22,27)(H,23,26)(H,24,25)(H,28,29)