3-[3-(aminocarbonylamino)propyl]-1-(4-cyanophenyl)-5-(2,6-diethylphenyl)-4,6-bis(oxidanylidene)-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid

Systemtic Name: 3-[3-(aminocarbonylamino)propyl]-1-(4-cyanophenyl)-5-(2,6-diethylphenyl)-4,6-bis(oxidanylidene)-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid Openeye Name: 1-(4-cyanophenyl)-5-(2,6-diethylphenyl)-4,6-dioxo-3-(3-ureidopropyl)-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid CAS Name: 3-[3-(carbamoylamino)propyl]-1-(4-cyanophenyl)-5-(2,6-diethylphenyl)-4,6-dioxo-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid IUPAC Name: 3-[3-(carbamoylamino)propyl]-1-(4-cyanophenyl)-5-(2,6-diethylphenyl)-4,6-dioxo-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid Traditional Name: 1-(4-cyanophenyl)-5-(2,6-diethylphenyl)-4,6-diketo-3-(3-ureidopropyl)-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid Formula: C28H31N5O5 MolecularWeight: 517.57624

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=CC=C1)CC)N2C(=O)C3C(C2=O)C(NC3C4=CC=C(C=C4)C#N)(CCCNC(=O)N)C(=O)O

Isomeric SMILES

CCC1=C(C(=CC=C1)CC)N2C(=O)C3C(C2=O)C(NC3C4=CC=C(C=C4)C#N)(CCCNC(=O)N)C(=O)O

InChI

InChI=1S/C28H31N5O5/c1-3-17-7-5-8-18(4-2)23(17)33-24(34)20-21(25(33)35)28(26(36)37,13-6-14-31-27(30)38)32-22(20)19-11-9-16(15-29)10-12-19/h5,7-12,20-22,32H,3-4,6,13-14H2,1-2H3,(H,36,37)(H3,30,31,38)