[1-[1-[[1-[(4-methyl-1-oxidanyl-pentan-2-yl)amino]-3-oxidanyl-1-oxidanylidene-propan-2-yl]amino]-1-oxidanylidene-decan-3-yl]oxy-1-oxidanylidene-decan-3-yl] 3-[4-[4-acetyloxy-6-methyl-3,5-bis(oxidanyl)oxan-2-yl]oxy-6-methyl-3,5-bis(oxidanyl)oxan-2-yl]oxydecanoate

Systemtic Name: [1-[1-[[1-[(4-methyl-1-oxidanyl-pentan-2-yl)amino]-3-oxidanyl-1-oxidanylidene-propan-2-yl]amino]-1-oxidanylidene-decan-3-yl]oxy-1-oxidanylidene-decan-3-yl] 3-[4-[4-acetyloxy-6-methyl-3,5-bis(oxidanyl)oxan-2-yl]oxy-6-methyl-3,5-bis(oxidanyl)oxan-2-yl]oxydecanoate Openeye Name: 1-[2-[1-[2-[[1-(hydroxymethyl)-2-[[1-(hydroxymethyl)-3-methyl-butyl]amino]-2-oxo-ethyl]amino]-2-oxo-ethyl]octoxy]-2-oxo-ethyl]octyl 3-[4-(4-acetoxy-3,5-dihydroxy-6-methyl-tetrahydropyran-2-yl)oxy-3,5-dihydroxy-6-methyl-tetrahydropyran-2-yl]oxydecanoate CAS Name: 3-[[4-[(4-acetyloxy-3,5-dihydroxy-6-methyl-2-oxanyl)oxy]-3,5-dihydroxy-6-methyl-2-oxanyl]oxy]decanoic acid [1-[1-[[3-hydroxy-1-[(1-hydroxy-4-methylpentan-2-yl)amino]-1-oxopropan-2-yl]amino]-1-oxodecan-3-yl]oxy-1-oxodecan-3-yl] ester IUPAC Name: [1-[1-[[3-hydroxy-1-[(1-hydroxy-4-methylpentan-2-yl)amino]-1-oxopropan-2-yl]amino]-1-oxodecan-3-yl]oxy-1-oxodecan-3-yl] 3-[4-(4-acetyloxy-3,5-dihydroxy-6-methyloxan-2-yl)oxy-3,5-dihydroxy-6-methyloxan-2-yl]oxydecanoate Traditional Name: 3-[4-(4-acetoxy-3,5-dihydroxy-6-methyl-tetrahydropyran-2-yl)oxy-3,5-dihydroxy-6-methyl-tetrahydropyran-2-yl]oxycapric acid 1-[2-keto-2-[1-[2-keto-2-[[2-keto-2-[(3-methyl-1-methylol-butyl)amino]-1-methylol-ethyl]amino]ethyl]octoxy]ethyl]octyl ester Formula: C53H96N2O18 MolecularWeight: 1049.33194

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(CC(=O)NC(CO)C(=O)NC(CC(C)C)CO)OC(=O)CC(CCCCCCC)OC(=O)CC(CCCCCCC)OC1C(C(C(C(O1)C)O)OC2C(C(C(C(O2)C)O)OC(=O)C)O)O

Isomeric SMILES

CCCCCCCC(CC(=O)NC(CO)C(=O)NC(CC(C)C)CO)OC(=O)CC(CCCCCCC)OC(=O)CC(CCCCCCC)OC1C(C(C(C(O1)C)O)OC2C(C(C(C(O2)C)O)OC(=O)C)O)O

InChI

InChI=1S/C53H96N2O18/c1-9-12-15-18-21-24-38(28-42(59)55-41(32-57)51(66)54-37(31-56)27-33(4)5)70-43(60)29-39(25-22-19-16-13-10-2)71-44(61)30-40(26-23-20-17-14-11-3)72-52-48(65)50(46(63)35(7)67-52)73-53-47(64)49(69-36(8)58)45(62)34(6)68-53/h33-35,37-41,45-50,52-53,56-57,62-65H,9-32H2,1-8H3,(H,54,66)(H,55,59)