1-[3-[2-[[2-[2-(1H-indol-3-yl)ethanoylamino]-3-methyl-pentanoyl]amino]ethoxy-oxidanyl-phosphoryl]oxy-2-(tetradecanoylamino)propoxy]decan-3-yl undecanoate

Systemtic Name: 1-[3-[2-[[2-[2-(1H-indol-3-yl)ethanoylamino]-3-methyl-pentanoyl]amino]ethoxy-oxidanyl-phosphoryl]oxy-2-(tetradecanoylamino)propoxy]decan-3-yl undecanoate Openeye Name: 1-[2-[3-[hydroxy-[2-[[2-[[2-(1H-indol-3-yl)acetyl]amino]-3-methyl-pentanoyl]amino]ethoxy]phosphoryl]oxy-2-(tetradecanoylamino)propoxy]ethyl]octyl undecanoate CAS Name: undecanoic acid 1-[3-[hydroxy-[2-[[2-[[2-(1H-indol-3-yl)-1-oxoethyl]amino]-3-methyl-1-oxopentyl]amino]ethoxy]phosphoryl]oxy-2-(1-oxotetradecylamino)propoxy]decan-3-yl ester IUPAC Name: 1-[3-[hydroxy-[2-[[2-[[2-(1H-indol-3-yl)acetyl]amino]-3-methylpentanoyl]amino]ethoxy]phosphoryl]oxy-2-(tetradecanoylamino)propoxy]decan-3-yl undecanoate Traditional Name: undecanoic acid 1-[2-[3-[hydroxy-[2-[[2-[[2-(1H-indol-3-yl)acetyl]amino]-3-methyl-pentanoyl]amino]ethoxy]phosphoryl]oxy-2-(tetradecanoylamino)propoxy]ethyl]octyl ester Formula: C56H99N4O10P MolecularWeight: 1019.379821

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCC(=O)NC(COCCC(CCCCCCC)OC(=O)CCCCCCCCCC)COP(=O)(O)OCCNC(=O)C(C(C)CC)NC(=O)CC1=CNC2=CC=CC=C21

Isomeric SMILES

CCCCCCCCCCCCCC(=O)NC(COCCC(CCCCCCC)OC(=O)CCCCCCCCCC)COP(=O)(O)OCCNC(=O)C(C(C)CC)NC(=O)CC1=CNC2=CC=CC=C21

InChI

InChI=1S/C56H99N4O10P/c1-6-10-13-16-18-20-21-22-23-26-29-36-52(61)59-48(44-67-40-38-49(33-28-25-15-12-8-3)70-54(63)37-30-27-24-19-17-14-11-7-2)45-69-71(65,66)68-41-39-57-56(64)55(46(5)9-4)60-53(62)42-47-43-58-51-35-32-31-34-50(47)51/h31-32,34-35,43,46,48-49,55,58H,6-30,33,36-42,44-45H2,1-5H3,(H,57,64)(H,59,61)(H,60,62)(H,65,66)