didodecyl (2S)-2-[[4-[2-[2-[2-[2-[2-[[(2S,3R,4R,5R)-4-[(2S,3R,4S,5R,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-2,3,5,6-tetrakis(oxidanyl)hexanoyl]amino]ethanoylamino]ethoxy]ethoxy]ethoxy]ethylamino]-4-oxidanylidene-butanoyl]amino]pentanedioate

Systemtic Name: didodecyl (2S)-2-[[4-[2-[2-[2-[2-[2-[[(2S,3R,4R,5R)-4-[(2S,3R,4S,5R,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-2,3,5,6-tetrakis(oxidanyl)hexanoyl]amino]ethanoylamino]ethoxy]ethoxy]ethoxy]ethylamino]-4-oxidanylidene-butanoyl]amino]pentanedioate Openeye Name: didodecyl (2S)-2-[[4-oxo-4-[2-[2-[2-[2-[[2-[[(2S,3R,4R,5R)-2,3,5,6-tetrahydroxy-4-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-hexanoyl]amino]acetyl]amino]ethoxy]ethoxy]ethoxy]ethylamino]butanoyl]amino]pentanedioate CAS Name: (2S)-2-[[1,4-dioxo-4-[2-[2-[2-[2-[[1-oxo-2-[[(2S,3R,4R,5R)-2,3,5,6-tetrahydroxy-1-oxo-4-[[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]hexyl]amino]ethyl]amino]ethoxy]ethoxy]ethoxy]ethylamino]butyl]amino]pentanedioic acid didodecyl ester IUPAC Name: didodecyl (2S)-2-[[4-oxo-4-[2-[2-[2-[2-[[2-[[(2S,3R,4R,5R)-2,3,5,6-tetrahydroxy-4-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexanoyl]amino]acetyl]amino]ethoxy]ethoxy]ethoxy]ethylamino]butanoyl]amino]pentanedioate Traditional Name: (2S)-2-[[4-keto-4-[2-[2-[2-[2-[[2-[[(2S,3R,4R,5R)-2,3,5,6-tetrahydroxy-4-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-hexanoyl]amino]acetyl]amino]ethoxy]ethoxy]ethoxy]ethylamino]butanoyl]amino]glutaric acid dilauryl ester Formula: C55H102N4O21 MolecularWeight: 1155.41258

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCOC(=O)CCC(C(=O)OCCCCCCCCCCCC)NC(=O)CCC(=O)NCCOCCOCCOCCNC(=O)CNC(=O)C(C(C(C(CO)O)OC1C(C(C(C(O1)CO)O)O)O)O)O

Isomeric SMILES

CCCCCCCCCCCCOC(=O)CC[C@@H](C(=O)OCCCCCCCCCCCC)NC(=O)CCC(=O)NCCOCCOCCOCCNC(=O)CNC(=O)[C@H]([C@H]([C@@H]([C@@H](CO)O)O[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)O)O

InChI

InChI=1S/C55H102N4O21/c1-3-5-7-9-11-13-15-17-19-21-29-77-46(66)26-23-40(54(73)78-30-22-20-18-16-14-12-10-8-6-4-2)59-44(64)25-24-43(63)56-27-31-74-33-35-76-36-34-75-32-28-57-45(65)37-58-53(72)50(70)49(69)52(41(62)38-60)80-55-51(71)48(68)47(67)42(39-61)79-55/h40-42,47-52,55,60-62,67-71H,3-39H2,1-2H3,(H,56,63)(H,57,65)(H,58,72)(H,59,64)/t40-,41+,42+,47-,48-,49+,50-,51+,52+,55-/m0/s1