[(3S,4R)-3,4-diacetyloxy-2-[[(2S)-2-acetyloxyicosanoyl]amino]henicosyl] ethanoate

Systemtic Name: [(3S,4R)-3,4-diacetyloxy-2-[[(2S)-2-acetyloxyicosanoyl]amino]henicosyl] ethanoate Openeye Name: [(3S,4R)-3,4-diacetoxy-2-[[(2S)-2-acetoxyicosanoyl]amino]henicosyl] acetate CAS Name: acetic acid [(3S,4R)-3,4-diacetyloxy-2-[[(2S)-2-acetyloxy-1-oxoeicosyl]amino]heneicosyl] ester IUPAC Name: [(3S,4R)-3,4-diacetyloxy-2-[[(2S)-2-acetyloxyicosanoyl]amino]henicosyl] acetate Traditional Name: acetic acid [(3S,4R)-3,4-diacetoxy-2-[[(2S)-2-acetoxyeicosanoyl]amino]heneicosyl] ester Formula: C49H91NO9 MolecularWeight: 838.24814

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCC(C(=O)NC(COC(=O)C)C(C(CCCCCCCCCCCCCCCCC)OC(=O)C)OC(=O)C)OC(=O)C

Isomeric SMILES

CCCCCCCCCCCCCCCCCC[C@@H](C(=O)NC(COC(=O)C)[C@@H]([C@@H](CCCCCCCCCCCCCCCCC)OC(=O)C)OC(=O)C)OC(=O)C

InChI

InChI=1S/C49H91NO9/c1-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-47(58-43(5)53)49(55)50-45(40-56-41(3)51)48(59-44(6)54)46(57-42(4)52)38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-2/h45-48H,7-40H2,1-6H3,(H,50,55)/t45?,46-,47+,48+/m1/s1