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

Systemtic Name: methyl (2S)-5-[[6-[2-(4-chlorophenyl)ethylcarbamoyl]-2-[(1R,3S)-3-[[5-[2-(4-chlorophenyl)ethylcarbamoyl]-6-[[(4S)-5-methoxy-5-oxidanylidene-4-(phenylmethoxycarbonylamino)pentyl]carbamoyl]-1,3-dihydroisoindol-2-yl]carbonyl]cyclohexyl]carbonyl-1,3-dihydroisoindol-5-yl]carbonylamino]-2-(phenylmethoxycarbonylamino)pentanoate Openeye Name: methyl (2S)-2-(benzyloxycarbonylamino)-5-[[2-[(1R,3S)-3-[5-[[(4S)-4-(benzyloxycarbonylamino)-5-methoxy-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: (2S)-5-[[[6-[[2-(4-chlorophenyl)ethylamino]-oxomethyl]-2-[[(1R,3S)-3-[[5-[[2-(4-chlorophenyl)ethylamino]-oxomethyl]-6-[[[(4S)-5-methoxy-5-oxo-4-(phenylmethoxycarbonylamino)pentyl]amino]-oxomethyl]-1,3-dihydroisoindol-2-yl]-oxomethyl]cyclohexyl]-oxomethyl]-1,3-dihydroisoindol-5-yl]-oxomethyl]amino]-2-(phenylmethoxycarbonylamino)pentanoic acid methyl ester IUPAC Name: methyl (2S)-5-[[6-[2-(4-chlorophenyl)ethylcarbamoyl]-2-[(1R,3S)-3-[5-[2-(4-chlorophenyl)ethylcarbamoyl]-6-[[(4S)-5-methoxy-5-oxo-4-(phenylmethoxycarbonylamino)pentyl]carbamoyl]-1,3-dihydroisoindole-2-carbonyl]cyclohexanecarbonyl]-1,3-dihydroisoindole-5-carbonyl]amino]-2-(phenylmethoxycarbonylamino)pentanoate Traditional Name: (2S)-2-(benzyloxycarbonylamino)-5-[[2-[(1R,3S)-3-[5-[[(4S)-4-(benzyloxycarbonylamino)-5-keto-5-methoxy-pentyl]carbamoyl]-6-[2-(4-chlorophenyl)ethylcarbamoyl]isoindoline-2-carbonyl]cyclohexanecarbonyl]-6-[2-(4-chlorophenyl)ethylcarbamoyl]isoindoline-5-carbonyl]amino]valeric acid methyl ester Formula: C72H78Cl2N8O14 MolecularWeight: 1350.34092

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CCCNC(=O)C1=CC2=C(CN(C2)C(=O)C3CCCC(C3)C(=O)N4CC5=C(C4)C=C(C(=C5)C(=O)NCCCC(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](CCCNC(=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)NCCC[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/C72H78Cl2N8O14/c1-93-69(89)61(79-71(91)95-43-47-12-5-3-6-13-47)18-10-30-75-63(83)57-35-51-39-81(41-53(51)37-59(57)65(85)77-32-28-45-20-24-55(73)25-21-45)67(87)49-16-9-17-50(34-49)68(88)82-40-52-36-58(60(38-54(52)42-82)66(86)78-33-29-46-22-26-56(74)27-23-46)64(84)76-31-11-19-62(70(90)94-2)80-72(92)96-44-48-14-7-4-8-15-48/h3-8,12-15,20-27,35-38,49-50,61-62H,9-11,16-19,28-34,39-44H2,1-2H3,(H,75,83)(H,76,84)(H,77,85)(H,78,86)(H,79,91)(H,80,92)/t49-,50+,61-,62-/m0/s1