ethyl (2S,3R,6S)-2,3-bis(oxidanyl)-6-(phenylmethoxycarbonylamino)octadecanoate

Systemtic Name: ethyl (2S,3R,6S)-2,3-bis(oxidanyl)-6-(phenylmethoxycarbonylamino)octadecanoate Openeye Name: ethyl (2S,3R,6S)-6-(benzyloxycarbonylamino)-2,3-dihydroxy-octadecanoate CAS Name: (2S,3R,6S)-2,3-dihydroxy-6-(phenylmethoxycarbonylamino)octadecanoic acid ethyl ester IUPAC Name: ethyl (2S,3R,6S)-2,3-dihydroxy-6-(phenylmethoxycarbonylamino)octadecanoate Traditional Name: (2S,3R,6S)-6-(benzyloxycarbonylamino)-2,3-dihydroxy-stearic acid ethyl ester Formula: C28H47NO6 MolecularWeight: 493.67588

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC(CCC(C(C(=O)OCC)O)O)NC(=O)OCC1=CC=CC=C1

Isomeric SMILES

CCCCCCCCCCCC[C@@H](CC[C@H]([C@@H](C(=O)OCC)O)O)NC(=O)OCC1=CC=CC=C1

InChI

InChI=1S/C28H47NO6/c1-3-5-6-7-8-9-10-11-12-16-19-24(20-21-25(30)26(31)27(32)34-4-2)29-28(33)35-22-23-17-14-13-15-18-23/h13-15,17-18,24-26,30-31H,3-12,16,19-22H2,1-2H3,(H,29,33)/t24-,25+,26-/m0/s1