(phenylmethyl) 2-[2-[2-[[(2S)-1-[2-[2-[2-[2-[2-(dioctadecylamino)-2-oxidanylidene-ethoxy]ethanoylamino]ethanoylamino]ethanoylamino]ethanoyl]pyrrolidin-2-yl]carbonylamino]ethanoylamino]ethanoylamino]ethanoate

Systemtic Name: (phenylmethyl) 2-[2-[2-[[(2S)-1-[2-[2-[2-[2-[2-(dioctadecylamino)-2-oxidanylidene-ethoxy]ethanoylamino]ethanoylamino]ethanoylamino]ethanoyl]pyrrolidin-2-yl]carbonylamino]ethanoylamino]ethanoylamino]ethanoate Openeye Name: benzyl 2-[[2-[[2-[[(2S)-1-[2-[[2-[[2-[[2-[2-(dioctadecylamino)-2-oxo-ethoxy]acetyl]amino]acetyl]amino]acetyl]amino]acetyl]pyrrolidine-2-carbonyl]amino]acetyl]amino]acetyl]amino]acetate CAS Name: 2-[[2-[[2-[[[(2S)-1-[2-[[2-[[2-[[2-[2-(dioctadecylamino)-2-oxoethoxy]-1-oxoethyl]amino]-1-oxoethyl]amino]-1-oxoethyl]amino]-1-oxoethyl]-2-pyrrolidinyl]-oxomethyl]amino]-1-oxoethyl]amino]-1-oxoethyl]amino]acetic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[[2-[[2-[[(2S)-1-[2-[[2-[[2-[[2-[2-(dioctadecylamino)-2-oxoethoxy]acetyl]amino]acetyl]amino]acetyl]amino]acetyl]pyrrolidine-2-carbonyl]amino]acetyl]amino]acetyl]amino]acetate Traditional Name: 2-[[2-[[2-[[(2S)-1-[2-[[2-[[2-[[2-[2-(distearylamino)-2-keto-ethoxy]acetyl]amino]acetyl]amino]acetyl]amino]acetyl]prolyl]amino]acetyl]amino]acetyl]amino]acetic acid benzyl ester Formula: C64H110N8O11 MolecularWeight: 1167.6052

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCN(CCCCCCCCCCCCCCCCCC)C(=O)COCC(=O)NCC(=O)NCC(=O)NCC(=O)N1CCCC1C(=O)NCC(=O)NCC(=O)NCC(=O)OCC2=CC=CC=C2

Isomeric SMILES

CCCCCCCCCCCCCCCCCCN(CCCCCCCCCCCCCCCCCC)C(=O)COCC(=O)NCC(=O)NCC(=O)NCC(=O)N1CCC[C@H]1C(=O)NCC(=O)NCC(=O)NCC(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C64H110N8O11/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-36-42-71(43-37-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2)62(79)53-82-52-60(77)67-47-56(73)65-45-57(74)68-49-61(78)72-44-38-41-55(72)64(81)70-48-59(76)66-46-58(75)69-50-63(80)83-51-54-39-34-33-35-40-54/h33-35,39-40,55H,3-32,36-38,41-53H2,1-2H3,(H,65,73)(H,66,76)(H,67,77)(H,68,74)(H,69,75)(H,70,81)/t55-/m0/s1