[(2R)-3-[(2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-[[2-[[2-[[2-[(2-methylpropan-2-yl)oxy]-2-oxidanylidene-ethyl]amino]-2-oxidanylidene-ethyl]amino]-2-oxidanylidene-ethyl]amino]-3-oxidanylidene-propyl]sulfanyl-2-hexadecanoyloxy-propyl] hexadecanoate

Systemtic Name: [(2R)-3-[(2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-[[2-[[2-[[2-[(2-methylpropan-2-yl)oxy]-2-oxidanylidene-ethyl]amino]-2-oxidanylidene-ethyl]amino]-2-oxidanylidene-ethyl]amino]-3-oxidanylidene-propyl]sulfanyl-2-hexadecanoyloxy-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]-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-oxo-propyl]sulfanyl-2-hexadecanoyloxy-propyl] hexadecanoate CAS Name: hexadecanoic acid [(2R)-3-[[(2R)-2-[[9H-fluoren-9-ylmethoxy(oxo)methyl]amino]-3-[[2-[[2-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-3-oxopropyl]thio]-2-(1-oxohexadecoxy)propyl] ester IUPAC Name: [(2R)-3-[(2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-[[2-[[2-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-3-oxopropyl]sulfanyl-2-hexadecanoyloxypropyl] 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]-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-keto-propyl]thio]-2-hexadecanoyloxy-propyl] ester Formula: C63H100N4O11S MolecularWeight: 1121.5533

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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)OCC1C2=CC=CC=C2C3=CC=CC=C13)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)OCC1C2=CC=CC=C2C3=CC=CC=C13)OC(=O)CCCCCCCCCCCCCCC

InChI

InChI=1S/C63H100N4O11S/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-40-58(70)75-45-49(77-59(71)41-31-29-27-25-23-21-19-17-15-13-11-9-7-2)47-79-48-55(61(73)66-43-57(69)64-42-56(68)65-44-60(72)78-63(3,4)5)67-62(74)76-46-54-52-38-34-32-36-50(52)51-37-33-35-39-53(51)54/h32-39,49,54-55H,6-31,40-48H2,1-5H3,(H,64,69)(H,65,68)(H,66,73)(H,67,74)/t49-,55+/m1/s1