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

Systemtic Name: 5-[2-[3-(butanoylamino)phenyl]sulfanylbutanoylamino]-2-oxidanyl-benzoic acid Openeye Name: 5-[2-[3-(butanoylamino)phenyl]sulfanylbutanoylamino]-2-hydroxy-benzoic acid CAS Name: 2-hydroxy-5-[[1-oxo-2-[[3-(1-oxobutylamino)phenyl]thio]butyl]amino]benzoic acid IUPAC Name: 5-[2-[3-(butanoylamino)phenyl]sulfanylbutanoylamino]-2-hydroxybenzoic acid Traditional Name: 5-[2-[(3-butyramidophenyl)thio]butanoylamino]-2-hydroxy-benzoic acid Formula: C21H24N2O5S MolecularWeight: 416.49066

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)NC1=CC(=CC=C1)SC(CC)C(=O)NC2=CC(=C(C=C2)O)C(=O)O

Isomeric SMILES

CCCC(=O)NC1=CC(=CC=C1)SC(CC)C(=O)NC2=CC(=C(C=C2)O)C(=O)O

InChI

InChI=1S/C21H24N2O5S/c1-3-6-19(25)22-13-7-5-8-15(11-13)29-18(4-2)20(26)23-14-9-10-17(24)16(12-14)21(27)28/h5,7-12,18,24H,3-4,6H2,1-2H3,(H,22,25)(H,23,26)(H,27,28)