[3-[(2S)-2-azanyl-3-phenyl-propanoyl]oxy-2-oxidanyl-propyl] tridecanoate

Systemtic Name: [3-[(2S)-2-azanyl-3-phenyl-propanoyl]oxy-2-oxidanyl-propyl] tridecanoate Openeye Name: [3-[(2S)-2-amino-3-phenyl-propanoyl]oxy-2-hydroxy-propyl] tridecanoate CAS Name: tridecanoic acid [3-[(2S)-2-amino-1-oxo-3-phenylpropoxy]-2-hydroxypropyl] ester IUPAC Name: [3-[(2S)-2-amino-3-phenylpropanoyl]oxy-2-hydroxypropyl] tridecanoate Traditional Name: tridecanoic acid [3-[(2S)-2-amino-3-phenyl-propanoyl]oxy-2-hydroxy-propyl] ester Formula: C25H41NO5 MolecularWeight: 435.59674

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC(=O)OCC(COC(=O)C(CC1=CC=CC=C1)N)O

Isomeric SMILES

CCCCCCCCCCCCC(=O)OCC(COC(=O)[C@H](CC1=CC=CC=C1)N)O

InChI

InChI=1S/C25H41NO5/c1-2-3-4-5-6-7-8-9-10-14-17-24(28)30-19-22(27)20-31-25(29)23(26)18-21-15-12-11-13-16-21/h11-13,15-16,22-23,27H,2-10,14,17-20,26H2,1H3/t22?,23-/m0/s1