2-oxidanyl-5-[[2-[3-(pentanoylamino)phenyl]sulfanyl-2-phenyl-ethanoyl]amino]benzoic acid

Systemtic Name: 2-oxidanyl-5-[[2-[3-(pentanoylamino)phenyl]sulfanyl-2-phenyl-ethanoyl]amino]benzoic acid Openeye Name: 2-hydroxy-5-[[2-[3-(pentanoylamino)phenyl]sulfanyl-2-phenyl-acetyl]amino]benzoic acid CAS Name: 2-hydroxy-5-[[1-oxo-2-[[3-(1-oxopentylamino)phenyl]thio]-2-phenylethyl]amino]benzoic acid IUPAC Name: 2-hydroxy-5-[[2-[3-(pentanoylamino)phenyl]sulfanyl-2-phenylacetyl]amino]benzoic acid Traditional Name: 2-hydroxy-5-[[2-phenyl-2-[[3-(valerylamino)phenyl]thio]acetyl]amino]benzoic acid Formula: C26H26N2O5S MolecularWeight: 478.56004

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H26N2O5S/c1-2-3-12-23(30)27-18-10-7-11-20(15-18)34-24(17-8-5-4-6-9-17)25(31)28-19-13-14-22(29)21(16-19)26(32)33/h4-11,13-16,24,29H,2-3,12H2,1H3,(H,27,30)(H,28,31)(H,32,33)