[(E)-2-azanyl-3-oxidanyl-octadec-4-enyl] 3-azanylpropanoate

Systemtic Name: [(E)-2-azanyl-3-oxidanyl-octadec-4-enyl] 3-azanylpropanoate Openeye Name: [(E)-2-amino-3-hydroxy-octadec-4-enyl] 3-aminopropanoate CAS Name: 3-aminopropanoic acid [(E)-2-amino-3-hydroxyoctadec-4-enyl] ester IUPAC Name: [(E)-2-amino-3-hydroxyoctadec-4-enyl] 3-aminopropanoate Traditional Name: 3-aminopropionic acid [(E)-2-amino-3-hydroxy-octadec-4-enyl] ester Formula: C21H42N2O3 MolecularWeight: 370.56978

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCC=CC(C(COC(=O)CCN)N)O

Isomeric SMILES

CCCCCCCCCCCCC/C=C/C(C(COC(=O)CCN)N)O

InChI

InChI=1S/C21H42N2O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-20(24)19(23)18-26-21(25)16-17-22/h14-15,19-20,24H,2-13,16-18,22-23H2,1H3/b15-14+