[(2S,3S,4R)-3,4-diacetyloxy-2-(2-acetyloxytetradecanoylamino)tricosyl] ethanoate

Systemtic Name: [(2S,3S,4R)-3,4-diacetyloxy-2-(2-acetyloxytetradecanoylamino)tricosyl] ethanoate Openeye Name: [(2S,3S,4R)-3,4-diacetoxy-2-(2-acetoxytetradecanoylamino)tricosyl] acetate CAS Name: acetic acid [(2S,3S,4R)-3,4-diacetyloxy-2-[(2-acetyloxy-1-oxotetradecyl)amino]tricosyl] ester IUPAC Name: [(2S,3S,4R)-3,4-diacetyloxy-2-(2-acetyloxytetradecanoylamino)tricosyl] acetate Traditional Name: acetic acid [(2S,3S,4R)-3,4-diacetoxy-2-(2-acetoxytetradecanoylamino)tricosyl] ester Formula: C45H83NO9 MolecularWeight: 782.14182

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCC(C(C(COC(=O)C)NC(=O)C(CCCCCCCCCCCC)OC(=O)C)OC(=O)C)OC(=O)C

Isomeric SMILES

CCCCCCCCCCCCCCCCCCC[C@H]([C@H]([C@H](COC(=O)C)NC(=O)C(CCCCCCCCCCCC)OC(=O)C)OC(=O)C)OC(=O)C

InChI

InChI=1S/C45H83NO9/c1-7-9-11-13-15-17-19-20-21-22-23-24-25-27-28-30-32-34-42(53-38(4)48)44(55-40(6)50)41(36-52-37(3)47)46-45(51)43(54-39(5)49)35-33-31-29-26-18-16-14-12-10-8-2/h41-44H,7-36H2,1-6H3,(H,46,51)/t41-,42+,43?,44-/m0/s1