[2-[8-[[2-(2-azanylheptanoylamino)-6-[2,6-bis(azanyl)hexanoylamino]hexanoyl]amino]octanoylamino]-3-dodecanoyloxy-2-(dodecanoyloxymethyl)propyl] dodecanoate

Systemtic Name: [2-[8-[[2-(2-azanylheptanoylamino)-6-[2,6-bis(azanyl)hexanoylamino]hexanoyl]amino]octanoylamino]-3-dodecanoyloxy-2-(dodecanoyloxymethyl)propyl] dodecanoate Openeye Name: [2-[8-[[2-(2-aminoheptanoylamino)-6-(2,6-diaminohexanoylamino)hexanoyl]amino]octanoylamino]-3-dodecanoyloxy-2-(dodecanoyloxymethyl)propyl] dodecanoate CAS Name: dodecanoic acid [2-[[8-[[2-[(2-amino-1-oxoheptyl)amino]-6-[(2,6-diamino-1-oxohexyl)amino]-1-oxohexyl]amino]-1-oxooctyl]amino]-3-(1-oxododecoxy)-2-(1-oxododecoxymethyl)propyl] ester IUPAC Name: [2-[8-[[2-(2-aminoheptanoylamino)-6-(2,6-diaminohexanoylamino)hexanoyl]amino]octanoylamino]-3-dodecanoyloxy-2-(dodecanoyloxymethyl)propyl] dodecanoate Traditional Name: lauric acid [2-[8-[[2-(2-aminoheptanoylamino)-6-(2,6-diaminohexanoylamino)hexanoyl]amino]octanoylamino]-3-lauroyloxy-2-(lauroyloxymethyl)propyl] ester Formula: C67H129N7O10 MolecularWeight: 1192.78206

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC)(COC(=O)CCCCCCCCCCC)NC(=O)CCCCCCCNC(=O)C(CCCCNC(=O)C(CCCCN)N)NC(=O)C(CCCCC)N

Isomeric SMILES

CCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC)(COC(=O)CCCCCCCCCCC)NC(=O)CCCCCCCNC(=O)C(CCCCNC(=O)C(CCCCN)N)NC(=O)C(CCCCC)N

InChI

InChI=1S/C67H129N7O10/c1-5-9-13-16-19-22-25-30-36-48-61(76)82-54-67(55-83-62(77)49-37-31-26-23-20-17-14-10-6-2,56-84-63(78)50-38-32-27-24-21-18-15-11-7-3)74-60(75)47-35-29-28-33-42-52-72-66(81)59(73-65(80)58(70)44-34-12-8-4)46-40-43-53-71-64(79)57(69)45-39-41-51-68/h57-59H,5-56,68-70H2,1-4H3,(H,71,79)(H,72,81)(H,73,80)(H,74,75)