3-[2-[3-(pentanoylamino)phenyl]sulfanylbutanoylamino]benzoic acid

Systemtic Name: 3-[2-[3-(pentanoylamino)phenyl]sulfanylbutanoylamino]benzoic acid Openeye Name: 3-[2-[3-(pentanoylamino)phenyl]sulfanylbutanoylamino]benzoic acid CAS Name: 3-[[1-oxo-2-[[3-(1-oxopentylamino)phenyl]thio]butyl]amino]benzoic acid IUPAC Name: 3-[2-[3-(pentanoylamino)phenyl]sulfanylbutanoylamino]benzoic acid Traditional Name: 3-[2-[[3-(valerylamino)phenyl]thio]butanoylamino]benzoic acid Formula: C22H26N2O4S MolecularWeight: 414.51784

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26N2O4S/c1-3-5-12-20(25)23-17-10-7-11-18(14-17)29-19(4-2)21(26)24-16-9-6-8-15(13-16)22(27)28/h6-11,13-14,19H,3-5,12H2,1-2H3,(H,23,25)(H,24,26)(H,27,28)