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

Systemtic Name: 2-[(3-octadecoxy-2-oxidanyl-propyl)amino]-3-phenyl-propanoic acid Openeye Name: 2-[(2-hydroxy-3-octadecoxy-propyl)amino]-3-phenyl-propanoic acid CAS Name: 2-[(2-hydroxy-3-octadecoxypropyl)amino]-3-phenylpropanoic acid IUPAC Name: 2-[(2-hydroxy-3-octadecoxypropyl)amino]-3-phenylpropanoic acid Traditional Name: 2-[(2-hydroxy-3-stearyloxy-propyl)amino]-3-phenyl-propionic acid Formula: C30H53NO4 MolecularWeight: 491.74612

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCOCC(CNC(CC1=CC=CC=C1)C(=O)O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCCCOCC(CNC(CC1=CC=CC=C1)C(=O)O)O

InChI

InChI=1S/C30H53NO4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-23-35-26-28(32)25-31-29(30(33)34)24-27-21-18-17-19-22-27/h17-19,21-22,28-29,31-32H,2-16,20,23-26H2,1H3,(H,33,34)