2-(dodecylamino)-4-[[(2R,3S,4S,5R,6R)-6-[(2S,3S,4S,5R)-5-[[3-(dodecylamino)-4-oxidanyl-4-oxidanylidene-butanoyl]oxymethyl]-2-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]oxy-3,4,5-tris(oxidanyl)oxan-2-yl]methoxy]-4-oxidanylidene-butanoic acid

Systemtic Name: 2-(dodecylamino)-4-[[(2R,3S,4S,5R,6R)-6-[(2S,3S,4S,5R)-5-[[3-(dodecylamino)-4-oxidanyl-4-oxidanylidene-butanoyl]oxymethyl]-2-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]oxy-3,4,5-tris(oxidanyl)oxan-2-yl]methoxy]-4-oxidanylidene-butanoic acid Openeye Name: 2-(dodecylamino)-4-[[(2R,3S,4S,5R,6R)-6-[(2S,3S,4S,5R)-5-[[3-(dodecylamino)-4-hydroxy-4-oxo-butanoyl]oxymethyl]-3,4-dihydroxy-2-(hydroxymethyl)tetrahydrofuran-2-yl]oxy-3,4,5-trihydroxy-tetrahydropyran-2-yl]methoxy]-4-oxo-butanoic acid CAS Name: 2-(dodecylamino)-4-[[(2R,3S,4S,5R,6R)-6-[[(2S,3S,4S,5R)-5-[[3-(dodecylamino)-4-hydroxy-1,4-dioxobutoxy]methyl]-3,4-dihydroxy-2-(hydroxymethyl)-2-oxolanyl]oxy]-3,4,5-trihydroxy-2-oxanyl]methoxy]-4-oxobutanoic acid IUPAC Name: 2-(dodecylamino)-4-[[(2R,3S,4S,5R,6R)-6-[(2S,3S,4S,5R)-5-[[3-(dodecylamino)-4-hydroxy-4-oxobutanoyl]oxymethyl]-3,4-dihydroxy-2-(hydroxymethyl)oxolan-2-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-4-oxobutanoic acid Traditional Name: 4-[[(2R,3S,4S,5R,6R)-6-[(2S,3S,4S,5R)-3,4-dihydroxy-5-[[4-hydroxy-4-keto-3-(laurylamino)butanoyl]oxymethyl]-2-methylol-tetrahydrofuran-2-yl]oxy-3,4,5-trihydroxy-tetrahydropyran-2-yl]methoxy]-4-keto-2-(laurylamino)butyric acid Formula: C44H80N2O17 MolecularWeight: 909.1092

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCNC(CC(=O)OCC1C(C(C(C(O1)OC2(C(C(C(O2)COC(=O)CC(C(=O)O)NCCCCCCCCCCCC)O)O)CO)O)O)O)C(=O)O

Isomeric SMILES

CCCCCCCCCCCCNC(CC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@]2([C@H]([C@@H]([C@H](O2)COC(=O)CC(C(=O)O)NCCCCCCCCCCCC)O)O)CO)O)O)O)C(=O)O

InChI

InChI=1S/C44H80N2O17/c1-3-5-7-9-11-13-15-17-19-21-23-45-30(41(55)56)25-34(48)59-27-32-36(50)38(52)39(53)43(61-32)63-44(29-47)40(54)37(51)33(62-44)28-60-35(49)26-31(42(57)58)46-24-22-20-18-16-14-12-10-8-6-4-2/h30-33,36-40,43,45-47,50-54H,3-29H2,1-2H3,(H,55,56)(H,57,58)/t30?,31?,32-,33-,36-,37-,38+,39-,40+,43-,44+/m1/s1