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

Systemtic Name: 4-methyl-3-[2-[3-(pentanoylamino)phenyl]sulfanylbutanoylamino]benzoic acid Openeye Name: 4-methyl-3-[2-[3-(pentanoylamino)phenyl]sulfanylbutanoylamino]benzoic acid CAS Name: 4-methyl-3-[[1-oxo-2-[[3-(1-oxopentylamino)phenyl]thio]butyl]amino]benzoic acid IUPAC Name: 4-methyl-3-[2-[3-(pentanoylamino)phenyl]sulfanylbutanoylamino]benzoic acid Traditional Name: 4-methyl-3-[2-[[3-(valerylamino)phenyl]thio]butanoylamino]benzoic acid Formula: C23H28N2O4S MolecularWeight: 428.54442

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H28N2O4S/c1-4-6-10-21(26)24-17-8-7-9-18(14-17)30-20(5-2)22(27)25-19-13-16(23(28)29)12-11-15(19)3/h7-9,11-14,20H,4-6,10H2,1-3H3,(H,24,26)(H,25,27)(H,28,29)