[(2R)-2-hexadecanoyloxy-3-[(2R)-3-[[2-[[2-[[2-[(2-methylpropan-2-yl)oxy]-2-oxidanylidene-ethyl]amino]-2-oxidanylidene-ethyl]amino]-2-oxidanylidene-ethyl]amino]-3-oxidanylidene-2-(tetradecanoylamino)propyl]sulfanyl-propyl] hexadecanoate

Systemtic Name: [(2R)-2-hexadecanoyloxy-3-[(2R)-3-[[2-[[2-[[2-[(2-methylpropan-2-yl)oxy]-2-oxidanylidene-ethyl]amino]-2-oxidanylidene-ethyl]amino]-2-oxidanylidene-ethyl]amino]-3-oxidanylidene-2-(tetradecanoylamino)propyl]sulfanyl-propyl] hexadecanoate Openeye Name: [(2R)-3-[(2R)-3-[[2-[[2-[(2-tert-butoxy-2-oxo-ethyl)amino]-2-oxo-ethyl]amino]-2-oxo-ethyl]amino]-3-oxo-2-(tetradecanoylamino)propyl]sulfanyl-2-hexadecanoyloxy-propyl] hexadecanoate CAS Name: hexadecanoic acid [(2R)-3-[[(2R)-3-[[2-[[2-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-3-oxo-2-(1-oxotetradecylamino)propyl]thio]-2-(1-oxohexadecoxy)propyl] ester IUPAC Name: [(2R)-2-hexadecanoyloxy-3-[(2R)-3-[[2-[[2-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-3-oxo-2-(tetradecanoylamino)propyl]sulfanylpropyl] hexadecanoate Traditional Name: palmitic acid [(2R)-3-[[(2R)-3-[[2-[[2-[(2-tert-butoxy-2-keto-ethyl)amino]-2-keto-ethyl]amino]-2-keto-ethyl]amino]-3-keto-2-(tetradecanoylamino)propyl]thio]-2-hexadecanoyloxy-propyl] ester Formula: C62H116N4O10S MolecularWeight: 1109.67024

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(=O)OCC(CSCC(C(=O)NCC(=O)NCC(=O)NCC(=O)OC(C)(C)C)NC(=O)CCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCC(=O)OC[C@H](CSC[C@@H](C(=O)NCC(=O)NCC(=O)NCC(=O)OC(C)(C)C)NC(=O)CCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC

InChI

InChI=1S/C62H116N4O10S/c1-7-10-13-16-19-22-25-27-30-33-36-39-42-45-58(70)74-50-53(75-59(71)46-43-40-37-34-31-28-26-23-20-17-14-11-8-2)51-77-52-54(66-55(67)44-41-38-35-32-29-24-21-18-15-12-9-3)61(73)65-48-57(69)63-47-56(68)64-49-60(72)76-62(4,5)6/h53-54H,7-52H2,1-6H3,(H,63,69)(H,64,68)(H,65,73)(H,66,67)/t53-,54+/m1/s1