3-[3-(aminocarbonylamino)propyl]-5-tert-butyl-4,6-bis(oxidanylidene)-1-[4-(2-phenylethenyl)phenyl]-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid

Systemtic Name: 3-[3-(aminocarbonylamino)propyl]-5-tert-butyl-4,6-bis(oxidanylidene)-1-[4-(2-phenylethenyl)phenyl]-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid Openeye Name: 5-tert-butyl-4,6-dioxo-1-(4-styrylphenyl)-3-(3-ureidopropyl)-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid CAS Name: 5-tert-butyl-3-[3-(carbamoylamino)propyl]-4,6-dioxo-1-[4-(2-phenylethenyl)phenyl]-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid IUPAC Name: 5-tert-butyl-3-[3-(carbamoylamino)propyl]-4,6-dioxo-1-[4-(2-phenylethenyl)phenyl]-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid Traditional Name: 5-tert-butyl-4,6-diketo-1-(4-styrylphenyl)-3-(3-ureidopropyl)-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid Formula: C29H34N4O5 MolecularWeight: 518.60406

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)N1C(=O)C2C(C1=O)C(NC2C3=CC=C(C=C3)C=CC4=CC=CC=C4)(CCCNC(=O)N)C(=O)O

Isomeric SMILES

CC(C)(C)N1C(=O)C2C(C1=O)C(NC2C3=CC=C(C=C3)C=CC4=CC=CC=C4)(CCCNC(=O)N)C(=O)O

InChI

InChI=1S/C29H34N4O5/c1-28(2,3)33-24(34)21-22(25(33)35)29(26(36)37,16-7-17-31-27(30)38)32-23(21)20-14-12-19(13-15-20)11-10-18-8-5-4-6-9-18/h4-6,8-15,21-23,32H,7,16-17H2,1-3H3,(H,36,37)(H3,30,31,38)