4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-heptadecakis(fluoranyl)undecyl (3aS,4R,6S,6aR)-5-(2-aminophenyl)carbonyl-1,3-bis(oxidanylidene)-6-phenyl-2-(phenylmethyl)-3a,4,6,6a-tetrahydropyrrolo[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)-5-(2-aminophenyl)carbonyl-1,3-bis(oxidanylidene)-6-phenyl-2-(phenylmethyl)-3a,4,6,6a-tetrahydropyrrolo[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-aminobenzoyl)-2-benzyl-1,3-dioxo-6-phenyl-3a,4,6,6a-tetrahydropyrrolo[3,4-c]pyrrole-4-carboxylate CAS Name: (3aS,4R,6S,6aR)-5-[(2-aminophenyl)-oxomethyl]-1,3-dioxo-6-phenyl-2-(phenylmethyl)-3a,4,6,6a-tetrahydropyrrolo[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)-5-(2-aminobenzoyl)-2-benzyl-1,3-dioxo-6-phenyl-3a,4,6,6a-tetrahydropyrrolo[3,4-c]pyrrole-4-carboxylate Traditional Name: (3aS,4R,6S,6aR)-5-anthraniloyl-2-benzyl-1,3-diketo-6-phenyl-3a,4,6,6a-tetrahydropyrrolo[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: C38H28F17N3O5 MolecularWeight: 929.618874

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C(=O)C3C(C2=O)C(N(C3C4=CC=CC=C4)C(=O)C5=CC=CC=C5N)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

Isomeric SMILES

C1=CC=C(C=C1)CN2C(=O)[C@@H]3[C@H](C2=O)[C@@H](N([C@@H]3C4=CC=CC=C4)C(=O)C5=CC=CC=C5N)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

InChI

InChI=1S/C38H28F17N3O5/c39-31(40,32(41,42)33(43,44)34(45,46)35(47,48)36(49,50)37(51,52)38(53,54)55)16-9-17-63-30(62)26-24-23(28(60)57(29(24)61)18-19-10-3-1-4-11-19)25(20-12-5-2-6-13-20)58(26)27(59)21-14-7-8-15-22(21)56/h1-8,10-15,23-26H,9,16-18,56H2/t23-,24+,25-,26-/m1/s1