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

Systemtic Name: 3-[3-(aminocarbonylamino)propyl]-5-(2,6-diethylphenyl)-1-(2,5-dimethylphenyl)-4,6-bis(oxidanylidene)-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid Openeye Name: 5-(2,6-diethylphenyl)-1-(2,5-dimethylphenyl)-4,6-dioxo-3-(3-ureidopropyl)-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid CAS Name: 3-[3-(carbamoylamino)propyl]-5-(2,6-diethylphenyl)-1-(2,5-dimethylphenyl)-4,6-dioxo-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid IUPAC Name: 3-[3-(carbamoylamino)propyl]-5-(2,6-diethylphenyl)-1-(2,5-dimethylphenyl)-4,6-dioxo-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid Traditional Name: 5-(2,6-diethylphenyl)-1-(2,5-dimethylphenyl)-4,6-diketo-3-(3-ureidopropyl)-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid Formula: C29H36N4O5 MolecularWeight: 520.61994

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H36N4O5/c1-5-18-9-7-10-19(6-2)24(18)33-25(34)21-22(26(33)35)29(27(36)37,13-8-14-31-28(30)38)32-23(21)20-15-16(3)11-12-17(20)4/h7,9-12,15,21-23,32H,5-6,8,13-14H2,1-4H3,(H,36,37)(H3,30,31,38)