[(2R,3R,4S,5R)-6-[(1S,2S)-2-chloranyl-1-[[(2S,5R)-5-(3-methoxypropyl)azepan-2-yl]carbonylamino]propyl]-2-methylsulfanyl-4,5-bis(oxidanyl)oxan-3-yl] hexadecanoate

Systemtic Name: [(2R,3R,4S,5R)-6-[(1S,2S)-2-chloranyl-1-[[(2S,5R)-5-(3-methoxypropyl)azepan-2-yl]carbonylamino]propyl]-2-methylsulfanyl-4,5-bis(oxidanyl)oxan-3-yl] hexadecanoate Openeye Name: [(2R,3R,4S,5R)-6-[(1S,2S)-2-chloro-1-[[(2S,5R)-5-(3-methoxypropyl)azepane-2-carbonyl]amino]propyl]-4,5-dihydroxy-2-methylsulfanyl-tetrahydropyran-3-yl] hexadecanoate CAS Name: hexadecanoic acid [(2R,3R,4S,5R)-6-[(1S,2S)-2-chloro-1-[[[(2S,5R)-5-(3-methoxypropyl)-2-azepanyl]-oxomethyl]amino]propyl]-4,5-dihydroxy-2-(methylthio)-3-oxanyl] ester IUPAC Name: [(2R,3R,4S,5R)-6-[(1S,2S)-2-chloro-1-[[(2S,5R)-5-(3-methoxypropyl)azepane-2-carbonyl]amino]propyl]-4,5-dihydroxy-2-methylsulfanyloxan-3-yl] hexadecanoate Traditional Name: palmitic acid [(2R,3R,4S,5R)-6-[(1S,2S)-2-chloro-1-[[(2S,5R)-5-(3-methoxypropyl)azepane-2-carbonyl]amino]propyl]-4,5-dihydroxy-2-(methylthio)tetrahydropyran-3-yl] ester Formula: C36H67ClN2O7S MolecularWeight: 707.44438

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(=O)OC1C(C(C(OC1SC)C(C(C)Cl)NC(=O)C2CCC(CCN2)CCCOC)O)O

Isomeric SMILES

CCCCCCCCCCCCCCCC(=O)O[C@@H]1[C@H]([C@H](C(O[C@@H]1SC)[C@@H]([C@H](C)Cl)NC(=O)[C@@H]2CC[C@@H](CCN2)CCCOC)O)O

InChI

InChI=1S/C36H67ClN2O7S/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-20-29(40)45-34-32(42)31(41)33(46-36(34)47-4)30(26(2)37)39-35(43)28-22-21-27(23-24-38-28)19-18-25-44-3/h26-28,30-34,36,38,41-42H,5-25H2,1-4H3,(H,39,43)/t26-,27-,28-,30+,31+,32-,33?,34+,36+/m0/s1