(phenylmethyl) 5-[[6-[2-(4-chlorophenyl)ethylcarbamoyl]-2-[(1R,3S)-3-[[5-[2-(4-chlorophenyl)ethylcarbamoyl]-6-[(5-oxidanylidene-5-phenylmethoxy-pentyl)carbamoyl]-1,3-dihydroisoindol-2-yl]carbonyl]cyclohexyl]carbonyl-1,3-dihydroisoindol-5-yl]carbonylamino]pentanoate

Systemtic Name: (phenylmethyl) 5-[[6-[2-(4-chlorophenyl)ethylcarbamoyl]-2-[(1R,3S)-3-[[5-[2-(4-chlorophenyl)ethylcarbamoyl]-6-[(5-oxidanylidene-5-phenylmethoxy-pentyl)carbamoyl]-1,3-dihydroisoindol-2-yl]carbonyl]cyclohexyl]carbonyl-1,3-dihydroisoindol-5-yl]carbonylamino]pentanoate Openeye Name: benzyl 5-[[2-[(1R,3S)-3-[5-[(5-benzyloxy-5-oxo-pentyl)carbamoyl]-6-[2-(4-chlorophenyl)ethylcarbamoyl]isoindoline-2-carbonyl]cyclohexanecarbonyl]-6-[2-(4-chlorophenyl)ethylcarbamoyl]isoindoline-5-carbonyl]amino]pentanoate CAS Name: 5-[[[6-[[2-(4-chlorophenyl)ethylamino]-oxomethyl]-2-[[(1R,3S)-3-[[5-[[2-(4-chlorophenyl)ethylamino]-oxomethyl]-6-[oxo-[(5-oxo-5-phenylmethoxypentyl)amino]methyl]-1,3-dihydroisoindol-2-yl]-oxomethyl]cyclohexyl]-oxomethyl]-1,3-dihydroisoindol-5-yl]-oxomethyl]amino]pentanoic acid (phenylmethyl) ester IUPAC Name: benzyl 5-[[6-[2-(4-chlorophenyl)ethylcarbamoyl]-2-[(1R,3S)-3-[5-[2-(4-chlorophenyl)ethylcarbamoyl]-6-[(5-oxo-5-phenylmethoxypentyl)carbamoyl]-1,3-dihydroisoindole-2-carbonyl]cyclohexanecarbonyl]-1,3-dihydroisoindole-5-carbonyl]amino]pentanoate Traditional Name: 5-[[2-[(1R,3S)-3-[5-[(5-benzoxy-5-keto-pentyl)carbamoyl]-6-[2-(4-chlorophenyl)ethylcarbamoyl]isoindoline-2-carbonyl]cyclohexanecarbonyl]-6-[2-(4-chlorophenyl)ethylcarbamoyl]isoindoline-5-carbonyl]amino]valeric acid benzyl ester Formula: C68H72Cl2N6O10 MolecularWeight: 1204.23948

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CC(C1)C(=O)N2CC3=C(C2)C=C(C(=C3)C(=O)NCCCCC(=O)OCC4=CC=CC=C4)C(=O)NCCC5=CC=C(C=C5)Cl)C(=O)N6CC7=C(C6)C=C(C(=C7)C(=O)NCCCCC(=O)OCC8=CC=CC=C8)C(=O)NCCC9=CC=C(C=C9)Cl

Isomeric SMILES

C1C[C@H](C[C@H](C1)C(=O)N2CC3=C(C2)C=C(C(=C3)C(=O)NCCCCC(=O)OCC4=CC=CC=C4)C(=O)NCCC5=CC=C(C=C5)Cl)C(=O)N6CC7=C(C6)C=C(C(=C7)C(=O)NCCCCC(=O)OCC8=CC=CC=C8)C(=O)NCCC9=CC=C(C=C9)Cl

InChI

InChI=1S/C68H72Cl2N6O10/c69-55-24-20-45(21-25-55)28-32-73-65(81)59-37-53-41-75(39-51(53)35-57(59)63(79)71-30-9-7-18-61(77)85-43-47-12-3-1-4-13-47)67(83)49-16-11-17-50(34-49)68(84)76-40-52-36-58(64(80)72-31-10-8-19-62(78)86-44-48-14-5-2-6-15-48)60(38-54(52)42-76)66(82)74-33-29-46-22-26-56(70)27-23-46/h1-6,12-15,20-27,35-38,49-50H,7-11,16-19,28-34,39-44H2,(H,71,79)(H,72,80)(H,73,81)(H,74,82)/t49-,50+