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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=CC=C1)CC)N2C(=O)C3C(NC(C3C2=O)(CCCNC(=O)N)C(=O)O)C=CC4=CC=CC=C4

Isomeric SMILES

CCC1=C(C(=CC=C1)CC)N2C(=O)C3C(NC(C3C2=O)(CCCNC(=O)N)C(=O)O)C=CC4=CC=CC=C4

InChI

InChI=1S/C29H34N4O5/c1-3-19-12-8-13-20(4-2)24(19)33-25(34)22-21(15-14-18-10-6-5-7-11-18)32-29(27(36)37,23(22)26(33)35)16-9-17-31-28(30)38/h5-8,10-15,21-23,32H,3-4,9,16-17H2,1-2H3,(H,36,37)(H3,30,31,38)