5-[2-[3-(3,3-dimethylbutanoylamino)phenyl]sulfanylethanoylamino]-2-oxidanyl-benzoic acid

Systemtic Name: 5-[2-[3-(3,3-dimethylbutanoylamino)phenyl]sulfanylethanoylamino]-2-oxidanyl-benzoic acid Openeye Name: 5-[[2-[3-(3,3-dimethylbutanoylamino)phenyl]sulfanylacetyl]amino]-2-hydroxy-benzoic acid CAS Name: 5-[[2-[[3-[(3,3-dimethyl-1-oxobutyl)amino]phenyl]thio]-1-oxoethyl]amino]-2-hydroxybenzoic acid IUPAC Name: 5-[[2-[3-(3,3-dimethylbutanoylamino)phenyl]sulfanylacetyl]amino]-2-hydroxybenzoic acid Traditional Name: 5-[[2-[[3-(3,3-dimethylbutanoylamino)phenyl]thio]acetyl]amino]-2-hydroxy-benzoic acid Formula: C21H24N2O5S MolecularWeight: 416.49066

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CC(=O)NC1=CC(=CC=C1)SCC(=O)NC2=CC(=C(C=C2)O)C(=O)O

Isomeric SMILES

CC(C)(C)CC(=O)NC1=CC(=CC=C1)SCC(=O)NC2=CC(=C(C=C2)O)C(=O)O

InChI

InChI=1S/C21H24N2O5S/c1-21(2,3)11-18(25)22-13-5-4-6-15(9-13)29-12-19(26)23-14-7-8-17(24)16(10-14)20(27)28/h4-10,24H,11-12H2,1-3H3,(H,22,25)(H,23,26)(H,27,28)