2-[methyl-(3-octadecoxy-2-oxidanyl-propyl)amino]-3-oxidanyl-propanoic acid

Systemtic Name: 2-[methyl-(3-octadecoxy-2-oxidanyl-propyl)amino]-3-oxidanyl-propanoic acid Openeye Name: 3-hydroxy-2-[(2-hydroxy-3-octadecoxy-propyl)-methyl-amino]propanoic acid CAS Name: 3-hydroxy-2-[(2-hydroxy-3-octadecoxypropyl)-methylamino]propanoic acid IUPAC Name: 3-hydroxy-2-[(2-hydroxy-3-octadecoxypropyl)-methylamino]propanoic acid Traditional Name: 3-hydroxy-2-[(2-hydroxy-3-stearyloxy-propyl)-methyl-amino]propionic acid Formula: C25H51NO5 MolecularWeight: 445.67614

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCOCC(CN(C)C(CO)C(=O)O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCCCOCC(CN(C)C(CO)C(=O)O)O

InChI

InChI=1S/C25H51NO5/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-31-22-23(28)20-26(2)24(21-27)25(29)30/h23-24,27-28H,3-22H2,1-2H3,(H,29,30)