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

Systemtic Name: 3-[3-(aminocarbonylamino)propyl]-1-(4-bromophenyl)-5-butyl-4,6-bis(oxidanylidene)-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid Openeye Name: 1-(4-bromophenyl)-5-butyl-4,6-dioxo-3-(3-ureidopropyl)-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid CAS Name: 1-(4-bromophenyl)-5-butyl-3-[3-(carbamoylamino)propyl]-4,6-dioxo-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid IUPAC Name: 1-(4-bromophenyl)-5-butyl-3-[3-(carbamoylamino)propyl]-4,6-dioxo-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid Traditional Name: 1-(4-bromophenyl)-5-butyl-4,6-diketo-3-(3-ureidopropyl)-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid Formula: C21H27BrN4O5 MolecularWeight: 495.36688

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2C(C1=O)C(NC2C3=CC=C(C=C3)Br)(CCCNC(=O)N)C(=O)O

Isomeric SMILES

CCCCN1C(=O)C2C(C1=O)C(NC2C3=CC=C(C=C3)Br)(CCCNC(=O)N)C(=O)O

InChI

InChI=1S/C21H27BrN4O5/c1-2-3-11-26-17(27)14-15(18(26)28)21(19(29)30,9-4-10-24-20(23)31)25-16(14)12-5-7-13(22)8-6-12/h5-8,14-16,25H,2-4,9-11H2,1H3,(H,29,30)(H3,23,24,31)