(2S,3R,26R,27R)-2,27-bis(azanyl)-3-[(2R,3R,4S,6S)-6-(hydroxymethyl)-5-methyl-3,4-bis(oxidanyl)oxan-2-yl]oxy-1,26-bis(oxidanyl)octacosan-13-one

Systemtic Name: (2S,3R,26R,27R)-2,27-bis(azanyl)-3-[(2R,3R,4S,6S)-6-(hydroxymethyl)-5-methyl-3,4-bis(oxidanyl)oxan-2-yl]oxy-1,26-bis(oxidanyl)octacosan-13-one Openeye Name: (2S,3R,26R,27R)-2,27-diamino-3-[(2R,3R,4S,6S)-3,4-dihydroxy-6-(hydroxymethyl)-5-methyl-tetrahydropyran-2-yl]oxy-1,26-dihydroxy-octacosan-13-one CAS Name: (2S,3R,26R,27R)-2,27-diamino-3-[[(2R,3R,4S,6S)-3,4-dihydroxy-6-(hydroxymethyl)-5-methyl-2-oxanyl]oxy]-1,26-dihydroxy-13-octacosanone IUPAC Name: (2S,3R,26R,27R)-2,27-diamino-3-[(2R,3R,4S,6S)-3,4-dihydroxy-6-(hydroxymethyl)-5-methyloxan-2-yl]oxy-1,26-dihydroxyoctacosan-13-one Traditional Name: (2S,3R,26R,27R)-2,27-diamino-3-[(2R,3R,4S,6S)-3,4-dihydroxy-5-methyl-6-methylol-tetrahydropyran-2-yl]oxy-1,26-dihydroxy-octacosan-13-one Formula: C35H70N2O8 MolecularWeight: 646.9389

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(OC(C(C1O)O)OC(CCCCCCCCCC(=O)CCCCCCCCCCCCC(C(C)N)O)C(CO)N)CO

Isomeric SMILES

CC1[C@H](O[C@H]([C@@H]([C@H]1O)O)O[C@H](CCCCCCCCCC(=O)CCCCCCCCCCCC[C@H]([C@@H](C)N)O)[C@H](CO)N)CO

InChI

InChI=1S/C35H70N2O8/c1-26-32(25-39)45-35(34(43)33(26)42)44-31(29(37)24-38)23-19-15-11-7-9-13-17-21-28(40)20-16-12-8-5-3-4-6-10-14-18-22-30(41)27(2)36/h26-27,29-35,38-39,41-43H,3-25,36-37H2,1-2H3/t26?,27-,29+,30-,31-,32-,33+,34-,35-/m1/s1