3-oxidanylidene-2-phenylsulfanyloxy-2-pyridin-2-yl-3-(undecylamino)propanoic acid

Systemtic Name: 3-oxidanylidene-2-phenylsulfanyloxy-2-pyridin-2-yl-3-(undecylamino)propanoic acid Openeye Name: 3-oxo-2-phenylsulfanyloxy-2-(2-pyridyl)-3-(undecylamino)propanoic acid CAS Name: 3-oxo-2-(phenylthio)oxy-2-(2-pyridinyl)-3-(undecylamino)propanoic acid IUPAC Name: 3-oxo-2-phenylsulfanyloxy-2-pyridin-2-yl-3-(undecylamino)propanoic acid Traditional Name: 3-keto-2-(phenylthio)oxy-2-(2-pyridyl)-3-(undecylamino)propionic acid Formula: C25H34N2O4S MolecularWeight: 458.61346

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCNC(=O)C(C1=CC=CC=N1)(C(=O)O)OSC2=CC=CC=C2

Isomeric SMILES

CCCCCCCCCCCNC(=O)C(C1=CC=CC=N1)(C(=O)O)OSC2=CC=CC=C2

InChI

InChI=1S/C25H34N2O4S/c1-2-3-4-5-6-7-8-9-14-20-27-23(28)25(24(29)30,22-18-13-15-19-26-22)31-32-21-16-11-10-12-17-21/h10-13,15-19H,2-9,14,20H2,1H3,(H,27,28)(H,29,30)