N-[8-[4-[3-(methylamino)propylamino]butylamino]-7-[[4-[3-(methylamino)propylamino]butylamino]methyl]octyl]-24-[12-[[(2R,3S,4R,5R)-2,3,4,5,6-pentakis(oxidanyl)hexanoyl]amino]dodecanoylamino]tetracosanamide

Systemtic Name: N-[8-[4-[3-(methylamino)propylamino]butylamino]-7-[[4-[3-(methylamino)propylamino]butylamino]methyl]octyl]-24-[12-[[(2R,3S,4R,5R)-2,3,4,5,6-pentakis(oxidanyl)hexanoyl]amino]dodecanoylamino]tetracosanamide Openeye Name: N-[8-[4-[3-(methylamino)propylamino]butylamino]-7-[[4-[3-(methylamino)propylamino]butylamino]methyl]octyl]-24-[12-[[(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoyl]amino]dodecanoylamino]tetracosanamide CAS Name: N-[8-[4-[3-(methylamino)propylamino]butylamino]-7-[[4-[3-(methylamino)propylamino]butylamino]methyl]octyl]-24-[[1-oxo-12-[[(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxy-1-oxohexyl]amino]dodecyl]amino]tetracosanamide IUPAC Name: N-[8-[4-[3-(methylamino)propylamino]butylamino]-7-[[4-[3-(methylamino)propylamino]butylamino]methyl]octyl]-24-[12-[[(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoyl]amino]dodecanoylamino]tetracosanamide Traditional Name: N-[8-[4-[3-(methylamino)propylamino]butylamino]-7-[[4-[3-(methylamino)propylamino]butylamino]methyl]octyl]-24-[12-[[(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoyl]amino]dodecanoylamino]lignoceramide Formula: C67H139N9O8 MolecularWeight: 1198.87606

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Descriptors Computed from Structure

Canonical SMILES:

CNCCCNCCCCNCC(CCCCCCNC(=O)CCCCCCCCCCCCCCCCCCCCCCCNC(=O)CCCCCCCCCCCNC(=O)C(C(C(C(CO)O)O)O)O)CNCCCCNCCCNC

Isomeric SMILES

CNCCCNCCCCNCC(CCCCCCNC(=O)CCCCCCCCCCCCCCCCCCCCCCCNC(=O)CCCCCCCCCCCNC(=O)[C@@H]([C@H]([C@@H]([C@@H](CO)O)O)O)O)CNCCCCNCCCNC

InChI

InChI=1S/C67H139N9O8/c1-68-46-41-52-70-48-37-39-50-72-57-60(58-73-51-40-38-49-71-53-42-47-69-2)43-31-27-30-35-55-75-63(80)45-32-25-21-17-14-12-10-8-6-4-3-5-7-9-11-13-15-19-23-28-34-54-74-62(79)44-33-26-22-18-16-20-24-29-36-56-76-67(84)66(83)65(82)64(81)61(78)59-77/h60-61,64-66,68-73,77-78,81-83H,3-59H2,1-2H3,(H,74,79)(H,75,80)(H,76,84)/t61-,64-,65+,66-/m1/s1