(phenylmethyl) 5-[[6-[2-(4-fluorophenyl)ethylcarbamoyl]-2-[2-[4-[2-[5-[2-(4-fluorophenyl)ethylcarbamoyl]-6-[(5-oxidanylidene-5-phenylmethoxy-pentyl)carbamoyl]-1,3-dihydroisoindol-2-yl]-2-oxidanylidene-ethyl]phenyl]ethanoyl]-1,3-dihydroisoindol-5-yl]carbonylamino]pentanoate

Systemtic Name: (phenylmethyl) 5-[[6-[2-(4-fluorophenyl)ethylcarbamoyl]-2-[2-[4-[2-[5-[2-(4-fluorophenyl)ethylcarbamoyl]-6-[(5-oxidanylidene-5-phenylmethoxy-pentyl)carbamoyl]-1,3-dihydroisoindol-2-yl]-2-oxidanylidene-ethyl]phenyl]ethanoyl]-1,3-dihydroisoindol-5-yl]carbonylamino]pentanoate Openeye Name: benzyl 5-[[2-[2-[4-[2-[5-[(5-benzyloxy-5-oxo-pentyl)carbamoyl]-6-[2-(4-fluorophenyl)ethylcarbamoyl]isoindolin-2-yl]-2-oxo-ethyl]phenyl]acetyl]-6-[2-(4-fluorophenyl)ethylcarbamoyl]isoindoline-5-carbonyl]amino]pentanoate CAS Name: 5-[[[6-[[2-(4-fluorophenyl)ethylamino]-oxomethyl]-2-[2-[4-[2-[5-[[2-(4-fluorophenyl)ethylamino]-oxomethyl]-6-[oxo-[(5-oxo-5-phenylmethoxypentyl)amino]methyl]-1,3-dihydroisoindol-2-yl]-2-oxoethyl]phenyl]-1-oxoethyl]-1,3-dihydroisoindol-5-yl]-oxomethyl]amino]pentanoic acid (phenylmethyl) ester IUPAC Name: benzyl 5-[[6-[2-(4-fluorophenyl)ethylcarbamoyl]-2-[2-[4-[2-[5-[2-(4-fluorophenyl)ethylcarbamoyl]-6-[(5-oxo-5-phenylmethoxypentyl)carbamoyl]-1,3-dihydroisoindol-2-yl]-2-oxoethyl]phenyl]acetyl]-1,3-dihydroisoindole-5-carbonyl]amino]pentanoate Traditional Name: 5-[[2-[2-[4-[2-[5-[(5-benzoxy-5-keto-pentyl)carbamoyl]-6-[2-(4-fluorophenyl)ethylcarbamoyl]isoindolin-2-yl]-2-keto-ethyl]phenyl]acetyl]-6-[2-(4-fluorophenyl)ethylcarbamoyl]isoindoline-5-carbonyl]amino]valeric acid benzyl ester Formula: C70H70F2N6O10 MolecularWeight: 1193.335806

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=C(CN1C(=O)CC3=CC=C(C=C3)CC(=O)N4CC5=C(C4)C=C(C(=C5)C(=O)NCCCCC(=O)OCC6=CC=CC=C6)C(=O)NCCC7=CC=C(C=C7)F)C=C(C(=C2)C(=O)NCCCCC(=O)OCC8=CC=CC=C8)C(=O)NCCC9=CC=C(C=C9)F

Isomeric SMILES

C1C2=C(CN1C(=O)CC3=CC=C(C=C3)CC(=O)N4CC5=C(C4)C=C(C(=C5)C(=O)NCCCCC(=O)OCC6=CC=CC=C6)C(=O)NCCC7=CC=C(C=C7)F)C=C(C(=C2)C(=O)NCCCCC(=O)OCC8=CC=CC=C8)C(=O)NCCC9=CC=C(C=C9)F

InChI

InChI=1S/C70H70F2N6O10/c71-57-25-21-47(22-26-57)29-33-75-69(85)61-39-55-43-77(41-53(55)37-59(61)67(83)73-31-9-7-15-65(81)87-45-51-11-3-1-4-12-51)63(79)35-49-17-19-50(20-18-49)36-64(80)78-42-54-38-60(68(84)74-32-10-8-16-66(82)88-46-52-13-5-2-6-14-52)62(40-56(54)44-78)70(86)76-34-30-48-23-27-58(72)28-24-48/h1-6,11-14,17-28,37-40H,7-10,15-16,29-36,41-46H2,(H,73,83)(H,74,84)(H,75,85)(H,76,86)