4-[4-[2-(11-phosphonoundecanoylamino)phenyl]pyridin-3-yl]sulfanylbutanoic acid

Systemtic Name: 4-[4-[2-(11-phosphonoundecanoylamino)phenyl]pyridin-3-yl]sulfanylbutanoic acid Openeye Name: 4-[[4-[2-(11-phosphonoundecanoylamino)phenyl]-3-pyridyl]sulfanyl]butanoic acid CAS Name: 4-[[4-[2-[(1-oxo-11-phosphonoundecyl)amino]phenyl]-3-pyridinyl]thio]butanoic acid IUPAC Name: 4-[4-[2-(11-phosphonoundecanoylamino)phenyl]pyridin-3-yl]sulfanylbutanoic acid Traditional Name: 4-[[4-[2-(11-phosphonoundecanoylamino)phenyl]-3-pyridyl]thio]butyric acid Formula: C26H37N2O6PS MolecularWeight: 536.620541

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C2=C(C=NC=C2)SCCCC(=O)O)NC(=O)CCCCCCCCCCP(=O)(O)O

Isomeric SMILES

C1=CC=C(C(=C1)C2=C(C=NC=C2)SCCCC(=O)O)NC(=O)CCCCCCCCCCP(=O)(O)O

InChI

InChI=1S/C26H37N2O6PS/c29-25(14-7-5-3-1-2-4-6-10-18-35(32,33)34)28-23-13-9-8-12-21(23)22-16-17-27-20-24(22)36-19-11-15-26(30)31/h8-9,12-13,16-17,20H,1-7,10-11,14-15,18-19H2,(H,28,29)(H,30,31)(H2,32,33,34)