4-[[3-[(2R,3R,4S,5R,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-1-[(12-methoxy-12-oxidanylidene-dodecyl)amino]-1-oxidanylidene-propan-2-yl]amino]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[[3-[(2R,3R,4S,5R,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-1-[(12-methoxy-12-oxidanylidene-dodecyl)amino]-1-oxidanylidene-propan-2-yl]amino]-4-oxidanylidene-butanoic acid Openeye Name: 4-[[2-[(12-methoxy-12-oxo-dodecyl)amino]-2-oxo-1-[[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxymethyl]ethyl]amino]-4-oxo-butanoic acid CAS Name: 4-[[1-[(12-methoxy-12-oxododecyl)amino]-1-oxo-3-[[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]propan-2-yl]amino]-4-oxobutanoic acid IUPAC Name: 4-[[1-[(12-methoxy-12-oxododecyl)amino]-1-oxo-3-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropan-2-yl]amino]-4-oxobutanoic acid Traditional Name: 4-keto-4-[[2-keto-2-[(12-keto-12-methoxy-dodecyl)amino]-1-[[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxymethyl]ethyl]amino]butyric acid Formula: C26H46N2O12 MolecularWeight: 578.64964

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCCCCCCCCCNC(=O)C(COC1C(C(C(C(O1)CO)O)O)O)NC(=O)CCC(=O)O

Isomeric SMILES

COC(=O)CCCCCCCCCCCNC(=O)C(CO[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)NC(=O)CCC(=O)O

InChI

InChI=1S/C26H46N2O12/c1-38-21(33)11-9-7-5-3-2-4-6-8-10-14-27-25(37)17(28-19(30)12-13-20(31)32)16-39-26-24(36)23(35)22(34)18(15-29)40-26/h17-18,22-24,26,29,34-36H,2-16H2,1H3,(H,27,37)(H,28,30)(H,31,32)/t17?,18-,22+,23+,24-,26-/m1/s1