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

Systemtic Name: (phenylmethyl) 5-[[6-[2-(4-fluorophenyl)ethylcarbamoyl]-2-[6-[[5-[2-(4-fluorophenyl)ethylcarbamoyl]-6-[(5-oxidanylidene-5-phenylmethoxy-pentyl)carbamoyl]-1,3-dihydroisoindol-2-yl]carbonyl]naphthalen-2-yl]carbonyl-1,3-dihydroisoindol-5-yl]carbonylamino]pentanoate Openeye Name: benzyl 5-[[2-[6-[5-[(5-benzyloxy-5-oxo-pentyl)carbamoyl]-6-[2-(4-fluorophenyl)ethylcarbamoyl]isoindoline-2-carbonyl]naphthalene-2-carbonyl]-6-[2-(4-fluorophenyl)ethylcarbamoyl]isoindoline-5-carbonyl]amino]pentanoate CAS Name: 5-[[[6-[[2-(4-fluorophenyl)ethylamino]-oxomethyl]-2-[[6-[[5-[[2-(4-fluorophenyl)ethylamino]-oxomethyl]-6-[oxo-[(5-oxo-5-phenylmethoxypentyl)amino]methyl]-1,3-dihydroisoindol-2-yl]-oxomethyl]-2-naphthalenyl]-oxomethyl]-1,3-dihydroisoindol-5-yl]-oxomethyl]amino]pentanoic acid (phenylmethyl) ester IUPAC Name: benzyl 5-[[6-[2-(4-fluorophenyl)ethylcarbamoyl]-2-[6-[5-[2-(4-fluorophenyl)ethylcarbamoyl]-6-[(5-oxo-5-phenylmethoxypentyl)carbamoyl]-1,3-dihydroisoindole-2-carbonyl]naphthalene-2-carbonyl]-1,3-dihydroisoindole-5-carbonyl]amino]pentanoate Traditional Name: 5-[[2-[6-[5-[(5-benzoxy-5-keto-pentyl)carbamoyl]-6-[2-(4-fluorophenyl)ethylcarbamoyl]isoindoline-2-carbonyl]-2-naphthoyl]-6-[2-(4-fluorophenyl)ethylcarbamoyl]isoindoline-5-carbonyl]amino]valeric acid benzyl ester Formula: C72H68F2N6O10 MolecularWeight: 1215.341326

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=C(CN1C(=O)C3=CC4=C(C=C3)C=C(C=C4)C(=O)N5CC6=C(C5)C=C(C(=C6)C(=O)NCCCCC(=O)OCC7=CC=CC=C7)C(=O)NCCC8=CC=C(C=C8)F)C=C(C(=C2)C(=O)NCCCCC(=O)OCC9=CC=CC=C9)C(=O)NCCC1=CC=C(C=C1)F

Isomeric SMILES

C1C2=C(CN1C(=O)C3=CC4=C(C=C3)C=C(C=C4)C(=O)N5CC6=C(C5)C=C(C(=C6)C(=O)NCCCCC(=O)OCC7=CC=CC=C7)C(=O)NCCC8=CC=C(C=C8)F)C=C(C(=C2)C(=O)NCCCCC(=O)OCC9=CC=CC=C9)C(=O)NCCC1=CC=C(C=C1)F

InChI

InChI=1S/C72H68F2N6O10/c73-59-25-17-47(18-26-59)29-33-77-69(85)63-39-57-43-79(41-55(57)37-61(63)67(83)75-31-9-7-15-65(81)89-45-49-11-3-1-4-12-49)71(87)53-23-21-52-36-54(24-22-51(52)35-53)72(88)80-42-56-38-62(68(84)76-32-10-8-16-66(82)90-46-50-13-5-2-6-14-50)64(40-58(56)44-80)70(86)78-34-30-48-19-27-60(74)28-20-48/h1-6,11-14,17-28,35-40H,7-10,15-16,29-34,41-46H2,(H,75,83)(H,76,84)(H,77,85)(H,78,86)