4-[[2-[3-(pentanoylamino)phenyl]sulfanyl-2-phenyl-ethanoyl]amino]benzoic acid

Systemtic Name: 4-[[2-[3-(pentanoylamino)phenyl]sulfanyl-2-phenyl-ethanoyl]amino]benzoic acid Openeye Name: 4-[[2-[3-(pentanoylamino)phenyl]sulfanyl-2-phenyl-acetyl]amino]benzoic acid CAS Name: 4-[[1-oxo-2-[[3-(1-oxopentylamino)phenyl]thio]-2-phenylethyl]amino]benzoic acid IUPAC Name: 4-[[2-[3-(pentanoylamino)phenyl]sulfanyl-2-phenylacetyl]amino]benzoic acid Traditional Name: 4-[[2-phenyl-2-[[3-(valerylamino)phenyl]thio]acetyl]amino]benzoic acid Formula: C26H26N2O4S MolecularWeight: 462.56064

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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)C(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C26H26N2O4S/c1-2-3-12-23(29)27-21-10-7-11-22(17-21)33-24(18-8-5-4-6-9-18)25(30)28-20-15-13-19(14-16-20)26(31)32/h4-11,13-17,24H,2-3,12H2,1H3,(H,27,29)(H,28,30)(H,31,32)