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

Systemtic Name: 3-[2-[3-(3,3-dimethylbutanoylamino)phenyl]sulfanylbutanoylamino]benzoic acid Openeye Name: 3-[2-[3-(3,3-dimethylbutanoylamino)phenyl]sulfanylbutanoylamino]benzoic acid CAS Name: 3-[[2-[[3-[(3,3-dimethyl-1-oxobutyl)amino]phenyl]thio]-1-oxobutyl]amino]benzoic acid IUPAC Name: 3-[2-[3-(3,3-dimethylbutanoylamino)phenyl]sulfanylbutanoylamino]benzoic acid Traditional Name: 3-[2-[[3-(3,3-dimethylbutanoylamino)phenyl]thio]butanoylamino]benzoic acid Formula: C23H28N2O4S MolecularWeight: 428.54442

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H28N2O4S/c1-5-19(21(27)25-16-9-6-8-15(12-16)22(28)29)30-18-11-7-10-17(13-18)24-20(26)14-23(2,3)4/h6-13,19H,5,14H2,1-4H3,(H,24,26)(H,25,27)(H,28,29)