methyl (2S)-5-[[6-[2-(4-fluorophenyl)ethylcarbamoyl]-2-[10-[5-[2-(4-fluorophenyl)ethylcarbamoyl]-6-[[(4S)-5-methoxy-5-oxidanylidene-4-(phenylmethoxycarbonylamino)pentyl]carbamoyl]-1,3-dihydroisoindol-2-yl]-10-oxidanylidene-decanoyl]-1,3-dihydroisoindol-5-yl]carbonylamino]-2-(phenylmethoxycarbonylamino)pentanoate

Systemtic Name: methyl (2S)-5-[[6-[2-(4-fluorophenyl)ethylcarbamoyl]-2-[10-[5-[2-(4-fluorophenyl)ethylcarbamoyl]-6-[[(4S)-5-methoxy-5-oxidanylidene-4-(phenylmethoxycarbonylamino)pentyl]carbamoyl]-1,3-dihydroisoindol-2-yl]-10-oxidanylidene-decanoyl]-1,3-dihydroisoindol-5-yl]carbonylamino]-2-(phenylmethoxycarbonylamino)pentanoate Openeye Name: methyl (2S)-2-(benzyloxycarbonylamino)-5-[[2-[10-[5-[[(4S)-4-(benzyloxycarbonylamino)-5-methoxy-5-oxo-pentyl]carbamoyl]-6-[2-(4-fluorophenyl)ethylcarbamoyl]isoindolin-2-yl]-10-oxo-decanoyl]-6-[2-(4-fluorophenyl)ethylcarbamoyl]isoindoline-5-carbonyl]amino]pentanoate CAS Name: (2S)-5-[[[6-[[2-(4-fluorophenyl)ethylamino]-oxomethyl]-2-[10-[5-[[2-(4-fluorophenyl)ethylamino]-oxomethyl]-6-[[[(4S)-5-methoxy-5-oxo-4-(phenylmethoxycarbonylamino)pentyl]amino]-oxomethyl]-1,3-dihydroisoindol-2-yl]-1,10-dioxodecyl]-1,3-dihydroisoindol-5-yl]-oxomethyl]amino]-2-(phenylmethoxycarbonylamino)pentanoic acid methyl ester IUPAC Name: methyl (2S)-5-[[6-[2-(4-fluorophenyl)ethylcarbamoyl]-2-[10-[5-[2-(4-fluorophenyl)ethylcarbamoyl]-6-[[(4S)-5-methoxy-5-oxo-4-(phenylmethoxycarbonylamino)pentyl]carbamoyl]-1,3-dihydroisoindol-2-yl]-10-oxodecanoyl]-1,3-dihydroisoindole-5-carbonyl]amino]-2-(phenylmethoxycarbonylamino)pentanoate Traditional Name: (2S)-2-(benzyloxycarbonylamino)-5-[[2-[10-[5-[[(4S)-4-(benzyloxycarbonylamino)-5-keto-5-methoxy-pentyl]carbamoyl]-6-[2-(4-fluorophenyl)ethylcarbamoyl]isoindolin-2-yl]-10-keto-decanoyl]-6-[2-(4-fluorophenyl)ethylcarbamoyl]isoindoline-5-carbonyl]amino]valeric acid methyl ester Formula: C74H84F2N8O14 MolecularWeight: 1347.500766

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CCCNC(=O)C1=CC2=C(CN(C2)C(=O)CCCCCCCCC(=O)N3CC4=C(C3)C=C(C(=C4)C(=O)NCCCC(C(=O)OC)NC(=O)OCC5=CC=CC=C5)C(=O)NCCC6=CC=C(C=C6)F)C=C1C(=O)NCCC7=CC=C(C=C7)F)NC(=O)OCC8=CC=CC=C8

Isomeric SMILES

COC(=O)[C@H](CCCNC(=O)C1=CC2=C(CN(C2)C(=O)CCCCCCCCC(=O)N3CC4=C(C3)C=C(C(=C4)C(=O)NCCC[C@@H](C(=O)OC)NC(=O)OCC5=CC=CC=C5)C(=O)NCCC6=CC=C(C=C6)F)C=C1C(=O)NCCC7=CC=C(C=C7)F)NC(=O)OCC8=CC=CC=C8

InChI

InChI=1S/C74H84F2N8O14/c1-95-71(91)63(81-73(93)97-47-51-17-9-7-10-18-51)21-15-35-77-67(87)59-39-53-43-83(45-55(53)41-61(59)69(89)79-37-33-49-25-29-57(75)30-26-49)65(85)23-13-5-3-4-6-14-24-66(86)84-44-54-40-60(62(42-56(54)46-84)70(90)80-38-34-50-27-31-58(76)32-28-50)68(88)78-36-16-22-64(72(92)96-2)82-74(94)98-48-52-19-11-8-12-20-52/h7-12,17-20,25-32,39-42,63-64H,3-6,13-16,21-24,33-38,43-48H2,1-2H3,(H,77,87)(H,78,88)(H,79,89)(H,80,90)(H,81,93)(H,82,94)/t63-,64-/m0/s1