3-[[2-[2-[(3R,4S,6R)-6-(hydroxymethyl)-5-[(3R,4S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-2,3,4-tris(oxidanyl)oxan-3-yl]ethyl]-6-methyl-7-oxidanylidene-7-[3-(trimethylazaniumyl)propylamino]-4-[3-(trimethylazaniumyl)propylcarbamoyl]heptanoyl]amino]propyl-trimethyl-azanium

Systemtic Name: 3-[[2-[2-[(3R,4S,6R)-6-(hydroxymethyl)-5-[(3R,4S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-2,3,4-tris(oxidanyl)oxan-3-yl]ethyl]-6-methyl-7-oxidanylidene-7-[3-(trimethylazaniumyl)propylamino]-4-[3-(trimethylazaniumyl)propylcarbamoyl]heptanoyl]amino]propyl-trimethyl-azanium Openeye Name: trimethyl-[3-[[6-methyl-7-oxo-2-[2-[(3R,4S,6R)-2,3,4-trihydroxy-6-(hydroxymethyl)-5-[(3R,4S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-tetrahydropyran-3-yl]ethyl]-7-[3-(trimethylammonio)propylamino]-4-[3-(trimethylammonio)propylcarbamoyl]heptanoyl]amino]propyl]ammonium CAS Name: trimethyl-[3-[[6-methyl-1,7-dioxo-4-[oxo-[3-(trimethylammonio)propylamino]methyl]-2-[2-[(3R,4S,6R)-2,3,4-trihydroxy-6-(hydroxymethyl)-5-[[(3R,4S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]-3-oxanyl]ethyl]-7-[3-(trimethylammonio)propylamino]heptyl]amino]propyl]ammonium IUPAC Name: trimethyl-[3-[[6-methyl-7-oxo-2-[2-[(3R,4S,6R)-2,3,4-trihydroxy-6-(hydroxymethyl)-5-[(3R,4S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl]ethyl]-7-[3-(trimethylazaniumyl)propylamino]-4-[3-(trimethylazaniumyl)propylcarbamoyl]heptanoyl]amino]propyl]azanium Traditional Name: trimethyl-[3-[[2-methyl-8-[(3R,4S,6R)-2,3,4-trihydroxy-6-methylol-5-[(3R,4S,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-tetrahydropyran-3-yl]-4,6-bis[3-(trimethylammonio)propylcarbamoyl]octanoyl]amino]propyl]ammonium Formula: C41H83N6O14+3 MolecularWeight: 884.12952

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(CC(CCC1(C(C(C(OC1O)CO)OC2C(C(C(C(O2)CO)O)O)O)O)O)C(=O)NCCC[N+](C)(C)C)C(=O)NCCC[N+](C)(C)C)C(=O)NCCC[N+](C)(C)C

Isomeric SMILES

CC(CC(CC(CC[C@]1([C@H](C([C@H](OC1O)CO)OC2[C@@H]([C@H](C([C@H](O2)CO)O)O)O)O)O)C(=O)NCCC[N+](C)(C)C)C(=O)NCCC[N+](C)(C)C)C(=O)NCCC[N+](C)(C)C

InChI

InChI=1S/C41H80N6O14/c1-26(36(54)42-16-11-19-45(2,3)4)22-28(38(56)44-18-13-21-47(8,9)10)23-27(37(55)43-17-12-20-46(5,6)7)14-15-41(58)35(53)34(30(25-49)60-40(41)57)61-39-33(52)32(51)31(50)29(24-48)59-39/h26-35,39-40,48-53,57-58H,11-25H2,1-10H3/p+3/t26?,27?,28?,29-,30-,31?,32+,33-,34?,35+,39?,40?,41-/m1/s1