(phenylmethyl) 5-[[6-[2-(4-chlorophenyl)ethylcarbamoyl]-2-[(E)-6-[5-[2-(4-chlorophenyl)ethylcarbamoyl]-6-[(5-oxidanylidene-5-phenylmethoxy-pentyl)carbamoyl]-1,3-dihydroisoindol-2-yl]-6-oxidanylidene-hex-3-enoyl]-1,3-dihydroisoindol-5-yl]carbonylamino]pentanoate

Systemtic Name: (phenylmethyl) 5-[[6-[2-(4-chlorophenyl)ethylcarbamoyl]-2-[(E)-6-[5-[2-(4-chlorophenyl)ethylcarbamoyl]-6-[(5-oxidanylidene-5-phenylmethoxy-pentyl)carbamoyl]-1,3-dihydroisoindol-2-yl]-6-oxidanylidene-hex-3-enoyl]-1,3-dihydroisoindol-5-yl]carbonylamino]pentanoate Openeye Name: benzyl 5-[[2-[(E)-6-[5-[(5-benzyloxy-5-oxo-pentyl)carbamoyl]-6-[2-(4-chlorophenyl)ethylcarbamoyl]isoindolin-2-yl]-6-oxo-hex-3-enoyl]-6-[2-(4-chlorophenyl)ethylcarbamoyl]isoindoline-5-carbonyl]amino]pentanoate CAS Name: 5-[[[6-[[2-(4-chlorophenyl)ethylamino]-oxomethyl]-2-[(E)-6-[5-[[2-(4-chlorophenyl)ethylamino]-oxomethyl]-6-[oxo-[(5-oxo-5-phenylmethoxypentyl)amino]methyl]-1,3-dihydroisoindol-2-yl]-1,6-dioxohex-3-enyl]-1,3-dihydroisoindol-5-yl]-oxomethyl]amino]pentanoic acid (phenylmethyl) ester IUPAC Name: benzyl 5-[[6-[2-(4-chlorophenyl)ethylcarbamoyl]-2-[(E)-6-[5-[2-(4-chlorophenyl)ethylcarbamoyl]-6-[(5-oxo-5-phenylmethoxypentyl)carbamoyl]-1,3-dihydroisoindol-2-yl]-6-oxohex-3-enoyl]-1,3-dihydroisoindole-5-carbonyl]amino]pentanoate Traditional Name: 5-[[2-[(E)-6-[5-[(5-benzoxy-5-keto-pentyl)carbamoyl]-6-[2-(4-chlorophenyl)ethylcarbamoyl]isoindolin-2-yl]-6-keto-hex-3-enoyl]-6-[2-(4-chlorophenyl)ethylcarbamoyl]isoindoline-5-carbonyl]amino]valeric acid benzyl ester Formula: C66H68Cl2N6O10 MolecularWeight: 1176.18632

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C2=C(CN1C(=O)CC=CCC(=O)N3CC4=C(C3)C=C(C(=C4)C(=O)NCCCCC(=O)OCC5=CC=CC=C5)C(=O)NCCC6=CC=C(C=C6)Cl)C=C(C(=C2)C(=O)NCCCCC(=O)OCC7=CC=CC=C7)C(=O)NCCC8=CC=C(C=C8)Cl

Isomeric SMILES

C1C2=C(CN1C(=O)C/C=C/CC(=O)N3CC4=C(C3)C=C(C(=C4)C(=O)NCCCCC(=O)OCC5=CC=CC=C5)C(=O)NCCC6=CC=C(C=C6)Cl)C=C(C(=C2)C(=O)NCCCCC(=O)OCC7=CC=CC=C7)C(=O)NCCC8=CC=C(C=C8)Cl

InChI

InChI=1S/C66H68Cl2N6O10/c67-53-25-21-45(22-26-53)29-33-71-65(81)57-37-51-41-73(39-49(51)35-55(57)63(79)69-31-11-9-19-61(77)83-43-47-13-3-1-4-14-47)59(75)17-7-8-18-60(76)74-40-50-36-56(64(80)70-32-12-10-20-62(78)84-44-48-15-5-2-6-16-48)58(38-52(50)42-74)66(82)72-34-30-46-23-27-54(68)28-24-46/h1-8,13-16,21-28,35-38H,9-12,17-20,29-34,39-44H2,(H,69,79)(H,70,80)(H,71,81)(H,72,82)/b8-7+