[(E,2S,3R)-2-(octadecanoylamino)-1-oxidanyl-octadec-4-en-3-yl] ethanoate

Systemtic Name: [(E,2S,3R)-2-(octadecanoylamino)-1-oxidanyl-octadec-4-en-3-yl] ethanoate Openeye Name: [(E,1R)-1-[(1S)-2-hydroxy-1-(octadecanoylamino)ethyl]hexadec-2-enyl] acetate CAS Name: acetic acid [(E,2S,3R)-1-hydroxy-2-(1-oxooctadecylamino)octadec-4-en-3-yl] ester IUPAC Name: [(E,2S,3R)-1-hydroxy-2-(octadecanoylamino)octadec-4-en-3-yl] acetate Traditional Name: acetic acid [(E,1R)-1-[(1S)-2-hydroxy-1-stearamido-ethyl]hexadec-2-enyl] ester Formula: C38H73NO4 MolecularWeight: 607.99052

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)NC(CO)C(C=CCCCCCCCCCCCCC)OC(=O)C

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO)[C@@H](/C=C/CCCCCCCCCCCCC)OC(=O)C

InChI

InChI=1S/C38H73NO4/c1-4-6-8-10-12-14-16-18-19-21-23-25-27-29-31-33-38(42)39-36(34-40)37(43-35(3)41)32-30-28-26-24-22-20-17-15-13-11-9-7-5-2/h30,32,36-37,40H,4-29,31,33-34H2,1-3H3,(H,39,42)/b32-30+/t36-,37+/m0/s1