methyl (2S)-6-[[6-[2-(4-chlorophenyl)ethylcarbamoyl]-2-[(1R,3S)-3-[[5-[2-(4-chlorophenyl)ethylcarbamoyl]-6-[[(5S)-6-methoxy-6-oxidanylidene-5-(phenylmethoxycarbonylamino)hexyl]carbamoyl]-1,3-dihydroisoindol-2-yl]carbonyl]cyclohexyl]carbonyl-1,3-dihydroisoindol-5-yl]carbonylamino]-2-(phenylmethoxycarbonylamino)hexanoate

Systemtic Name: methyl (2S)-6-[[6-[2-(4-chlorophenyl)ethylcarbamoyl]-2-[(1R,3S)-3-[[5-[2-(4-chlorophenyl)ethylcarbamoyl]-6-[[(5S)-6-methoxy-6-oxidanylidene-5-(phenylmethoxycarbonylamino)hexyl]carbamoyl]-1,3-dihydroisoindol-2-yl]carbonyl]cyclohexyl]carbonyl-1,3-dihydroisoindol-5-yl]carbonylamino]-2-(phenylmethoxycarbonylamino)hexanoate Openeye Name: methyl (2S)-2-(benzyloxycarbonylamino)-6-[[2-[(1R,3S)-3-[5-[[(5S)-5-(benzyloxycarbonylamino)-6-methoxy-6-oxo-hexyl]carbamoyl]-6-[2-(4-chlorophenyl)ethylcarbamoyl]isoindoline-2-carbonyl]cyclohexanecarbonyl]-6-[2-(4-chlorophenyl)ethylcarbamoyl]isoindoline-5-carbonyl]amino]hexanoate CAS Name: (2S)-6-[[[6-[[2-(4-chlorophenyl)ethylamino]-oxomethyl]-2-[[(1R,3S)-3-[[5-[[2-(4-chlorophenyl)ethylamino]-oxomethyl]-6-[[[(5S)-6-methoxy-6-oxo-5-(phenylmethoxycarbonylamino)hexyl]amino]-oxomethyl]-1,3-dihydroisoindol-2-yl]-oxomethyl]cyclohexyl]-oxomethyl]-1,3-dihydroisoindol-5-yl]-oxomethyl]amino]-2-(phenylmethoxycarbonylamino)hexanoic acid methyl ester IUPAC Name: methyl (2S)-6-[[6-[2-(4-chlorophenyl)ethylcarbamoyl]-2-[(1R,3S)-3-[5-[2-(4-chlorophenyl)ethylcarbamoyl]-6-[[(5S)-6-methoxy-6-oxo-5-(phenylmethoxycarbonylamino)hexyl]carbamoyl]-1,3-dihydroisoindole-2-carbonyl]cyclohexanecarbonyl]-1,3-dihydroisoindole-5-carbonyl]amino]-2-(phenylmethoxycarbonylamino)hexanoate Traditional Name: (2S)-2-(benzyloxycarbonylamino)-6-[[2-[(1R,3S)-3-[5-[[(5S)-5-(benzyloxycarbonylamino)-6-keto-6-methoxy-hexyl]carbamoyl]-6-[2-(4-chlorophenyl)ethylcarbamoyl]isoindoline-2-carbonyl]cyclohexanecarbonyl]-6-[2-(4-chlorophenyl)ethylcarbamoyl]isoindoline-5-carbonyl]amino]hexanoic acid methyl ester Formula: C74H82Cl2N8O14 MolecularWeight: 1378.39408

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CCCCNC(=O)C1=CC2=C(CN(C2)C(=O)C3CCCC(C3)C(=O)N4CC5=C(C4)C=C(C(=C5)C(=O)NCCCCC(C(=O)OC)NC(=O)OCC6=CC=CC=C6)C(=O)NCCC7=CC=C(C=C7)Cl)C=C1C(=O)NCCC8=CC=C(C=C8)Cl)NC(=O)OCC9=CC=CC=C9

Isomeric SMILES

COC(=O)[C@H](CCCCNC(=O)C1=CC2=C(CN(C2)C(=O)[C@@H]3CCC[C@@H](C3)C(=O)N4CC5=C(C4)C=C(C(=C5)C(=O)NCCCC[C@@H](C(=O)OC)NC(=O)OCC6=CC=CC=C6)C(=O)NCCC7=CC=C(C=C7)Cl)C=C1C(=O)NCCC8=CC=C(C=C8)Cl)NC(=O)OCC9=CC=CC=C9

InChI

InChI=1S/C74H82Cl2N8O14/c1-95-71(91)63(81-73(93)97-45-49-14-5-3-6-15-49)20-9-11-32-77-65(85)59-37-53-41-83(43-55(53)39-61(59)67(87)79-34-30-47-22-26-57(75)27-23-47)69(89)51-18-13-19-52(36-51)70(90)84-42-54-38-60(62(40-56(54)44-84)68(88)80-35-31-48-24-28-58(76)29-25-48)66(86)78-33-12-10-21-64(72(92)96-2)82-74(94)98-46-50-16-7-4-8-17-50/h3-8,14-17,22-29,37-40,51-52,63-64H,9-13,18-21,30-36,41-46H2,1-2H3,(H,77,85)(H,78,86)(H,79,87)(H,80,88)(H,81,93)(H,82,94)/t51-,52+,63-,64-/m0/s1