5-[[2-[4-(3,3-dimethylbutanoylamino)phenyl]sulfanyl-2-phenyl-ethanoyl]amino]-2-oxidanyl-benzoic acid

Systemtic Name: 5-[[2-[4-(3,3-dimethylbutanoylamino)phenyl]sulfanyl-2-phenyl-ethanoyl]amino]-2-oxidanyl-benzoic acid Openeye Name: 5-[[2-[4-(3,3-dimethylbutanoylamino)phenyl]sulfanyl-2-phenyl-acetyl]amino]-2-hydroxy-benzoic acid CAS Name: 5-[[2-[[4-[(3,3-dimethyl-1-oxobutyl)amino]phenyl]thio]-1-oxo-2-phenylethyl]amino]-2-hydroxybenzoic acid IUPAC Name: 5-[[2-[4-(3,3-dimethylbutanoylamino)phenyl]sulfanyl-2-phenylacetyl]amino]-2-hydroxybenzoic acid Traditional Name: 5-[[2-[[4-(3,3-dimethylbutanoylamino)phenyl]thio]-2-phenyl-acetyl]amino]-2-hydroxy-benzoic acid Formula: C27H28N2O5S MolecularWeight: 492.58662

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CC(=O)NC1=CC=C(C=C1)SC(C2=CC=CC=C2)C(=O)NC3=CC(=C(C=C3)O)C(=O)O

Isomeric SMILES

CC(C)(C)CC(=O)NC1=CC=C(C=C1)SC(C2=CC=CC=C2)C(=O)NC3=CC(=C(C=C3)O)C(=O)O

InChI

InChI=1S/C27H28N2O5S/c1-27(2,3)16-23(31)28-18-9-12-20(13-10-18)35-24(17-7-5-4-6-8-17)25(32)29-19-11-14-22(30)21(15-19)26(33)34/h4-15,24,30H,16H2,1-3H3,(H,28,31)(H,29,32)(H,33,34)