4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-heptadecakis(fluoranyl)undecyl (3aS,4R,6S,6aR)-2-ethyl-6-(4-methoxyphenyl)-4-methyl-5-[2-(2-methylbutan-2-ylamino)ethanoyl]-1,3-bis(oxidanylidene)-6,6a-dihydro-3aH-pyrrolo[3,4-c]pyrrole-4-carboxylate

Systemtic Name: 4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-heptadecakis(fluoranyl)undecyl (3aS,4R,6S,6aR)-2-ethyl-6-(4-methoxyphenyl)-4-methyl-5-[2-(2-methylbutan-2-ylamino)ethanoyl]-1,3-bis(oxidanylidene)-6,6a-dihydro-3aH-pyrrolo[3,4-c]pyrrole-4-carboxylate Openeye Name: 4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-heptadecafluoroundecyl (3aS,4R,6S,6aR)-5-[2-(1,1-dimethylpropylamino)acetyl]-2-ethyl-6-(4-methoxyphenyl)-4-methyl-1,3-dioxo-6,6a-dihydro-3aH-pyrrolo[3,4-c]pyrrole-4-carboxylate CAS Name: (3aS,4R,6S,6aR)-2-ethyl-6-(4-methoxyphenyl)-4-methyl-5-[2-(2-methylbutan-2-ylamino)-1-oxoethyl]-1,3-dioxo-6,6a-dihydro-3aH-pyrrolo[3,4-c]pyrrole-4-carboxylic acid 4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-heptadecafluoroundecyl ester IUPAC Name: 4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-heptadecafluoroundecyl (3aS,4R,6S,6aR)-2-ethyl-6-(4-methoxyphenyl)-4-methyl-5-[2-(2-methylbutan-2-ylamino)acetyl]-1,3-dioxo-6,6a-dihydro-3aH-pyrrolo[3,4-c]pyrrole-4-carboxylate Traditional Name: (3aS,4R,6S,6aR)-5-[2-(tert-amylamino)acetyl]-2-ethyl-1,3-diketo-6-(4-methoxyphenyl)-4-methyl-6,6a-dihydro-3aH-pyrrolo[3,4-c]pyrrole-4-carboxylic acid 4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-heptadecafluoroundecyl ester Formula: C35H38F17N3O6 MolecularWeight: 919.665574

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)NCC(=O)N1C(C2C(C1(C)C(=O)OCCCC(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)C(=O)N(C2=O)CC)C3=CC=C(C=C3)OC

Isomeric SMILES

CCC(C)(C)NCC(=O)N1[C@@H]([C@H]2[C@@H]([C@]1(C)C(=O)OCCCC(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)C(=O)N(C2=O)CC)C3=CC=C(C=C3)OC

InChI

InChI=1S/C35H38F17N3O6/c1-7-26(3,4)53-16-19(56)55-22(17-10-12-18(60-6)13-11-17)20-21(24(58)54(8-2)23(20)57)27(55,5)25(59)61-15-9-14-28(36,37)29(38,39)30(40,41)31(42,43)32(44,45)33(46,47)34(48,49)35(50,51)52/h10-13,20-22,53H,7-9,14-16H2,1-6H3/t20-,21-,22-,27-/m1/s1