2-[6-[3-(pyridin-2-yldisulfanyl)propanoylamino]hexylamino]benzoic acid

Systemtic Name: 2-[6-[3-(pyridin-2-yldisulfanyl)propanoylamino]hexylamino]benzoic acid Openeye Name: 2-[6-[3-(2-pyridyldisulfanyl)propanoylamino]hexylamino]benzoic acid CAS Name: 2-[6-[[1-oxo-3-(2-pyridinyldisulfanyl)propyl]amino]hexylamino]benzoic acid IUPAC Name: 2-[6-[3-(pyridin-2-yldisulfanyl)propanoylamino]hexylamino]benzoic acid Traditional Name: 2-[6-[3-(2-pyridyldisulfanyl)propanoylamino]hexylamino]benzoic acid Formula: C21H27N3O3S2 MolecularWeight: 433.58738

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)O)NCCCCCCNC(=O)CCSSC2=CC=CC=N2

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)O)NCCCCCCNC(=O)CCSSC2=CC=CC=N2

InChI

InChI=1S/C21H27N3O3S2/c25-19(12-16-28-29-20-11-5-8-15-24-20)23-14-7-2-1-6-13-22-18-10-4-3-9-17(18)21(26)27/h3-5,8-11,15,22H,1-2,6-7,12-14,16H2,(H,23,25)(H,26,27)