[(2S,3R)-2-(octadecanoylamino)-3-oxidanyl-hexadecyl] ethanoate

Systemtic Name: [(2S,3R)-2-(octadecanoylamino)-3-oxidanyl-hexadecyl] ethanoate Openeye Name: [(2S,3R)-3-hydroxy-2-(octadecanoylamino)hexadecyl] acetate CAS Name: acetic acid [(2S,3R)-3-hydroxy-2-(1-oxooctadecylamino)hexadecyl] ester IUPAC Name: [(2S,3R)-3-hydroxy-2-(octadecanoylamino)hexadecyl] acetate Traditional Name: acetic acid [(2S,3R)-3-hydroxy-2-stearamido-hexadecyl] ester Formula: C36H71NO4 MolecularWeight: 581.95324

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)NC(COC(=O)C)C(CCCCCCCCCCCCC)O

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)N[C@@H](COC(=O)C)[C@@H](CCCCCCCCCCCCC)O

InChI

InChI=1S/C36H71NO4/c1-4-6-8-10-12-14-16-17-18-19-21-23-25-27-29-31-36(40)37-34(32-41-33(3)38)35(39)30-28-26-24-22-20-15-13-11-9-7-5-2/h34-35,39H,4-32H2,1-3H3,(H,37,40)/t34-,35+/m0/s1