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

Systemtic Name: 5-[2-[3-(3,3-dimethylbutanoylamino)phenyl]sulfanylpropanoylamino]-2-oxidanyl-benzoic acid Openeye Name: 5-[2-[3-(3,3-dimethylbutanoylamino)phenyl]sulfanylpropanoylamino]-2-hydroxy-benzoic acid CAS Name: 5-[[2-[[3-[(3,3-dimethyl-1-oxobutyl)amino]phenyl]thio]-1-oxopropyl]amino]-2-hydroxybenzoic acid IUPAC Name: 5-[2-[3-(3,3-dimethylbutanoylamino)phenyl]sulfanylpropanoylamino]-2-hydroxybenzoic acid Traditional Name: 5-[2-[[3-(3,3-dimethylbutanoylamino)phenyl]thio]propanoylamino]-2-hydroxy-benzoic acid Formula: C22H26N2O5S MolecularWeight: 430.51724

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26N2O5S/c1-13(20(27)24-15-8-9-18(25)17(11-15)21(28)29)30-16-7-5-6-14(10-16)23-19(26)12-22(2,3)4/h5-11,13,25H,12H2,1-4H3,(H,23,26)(H,24,27)(H,28,29)