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

Systemtic Name: 5-[2-[3-(3,3-dimethylbutanoylamino)phenyl]sulfanylbutanoylamino]-2-oxidanyl-benzoic acid Openeye Name: 5-[2-[3-(3,3-dimethylbutanoylamino)phenyl]sulfanylbutanoylamino]-2-hydroxy-benzoic acid CAS Name: 5-[[2-[[3-[(3,3-dimethyl-1-oxobutyl)amino]phenyl]thio]-1-oxobutyl]amino]-2-hydroxybenzoic acid IUPAC Name: 5-[2-[3-(3,3-dimethylbutanoylamino)phenyl]sulfanylbutanoylamino]-2-hydroxybenzoic acid Traditional Name: 5-[2-[[3-(3,3-dimethylbutanoylamino)phenyl]thio]butanoylamino]-2-hydroxy-benzoic acid Formula: C23H28N2O5S MolecularWeight: 444.54382

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC(=C(C=C1)O)C(=O)O)SC2=CC=CC(=C2)NC(=O)CC(C)(C)C

Isomeric SMILES

CCC(C(=O)NC1=CC(=C(C=C1)O)C(=O)O)SC2=CC=CC(=C2)NC(=O)CC(C)(C)C

InChI

InChI=1S/C23H28N2O5S/c1-5-19(21(28)25-15-9-10-18(26)17(12-15)22(29)30)31-16-8-6-7-14(11-16)24-20(27)13-23(2,3)4/h6-12,19,26H,5,13H2,1-4H3,(H,24,27)(H,25,28)(H,29,30)