3-butan-2-yl-5-butyl-1-(4-carbamimidoylphenyl)-4,6-bis(oxidanylidene)-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid

Systemtic Name: 3-butan-2-yl-5-butyl-1-(4-carbamimidoylphenyl)-4,6-bis(oxidanylidene)-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid Openeye Name: 5-butyl-1-(4-carbamimidoylphenyl)-4,6-dioxo-3-sec-butyl-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid CAS Name: 3-butan-2-yl-5-butyl-1-(4-carbamimidoylphenyl)-4,6-dioxo-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid IUPAC Name: 3-butan-2-yl-5-butyl-1-(4-carbamimidoylphenyl)-4,6-dioxo-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid Traditional Name: 1-(4-amidinophenyl)-5-butyl-4,6-diketo-3-sec-butyl-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid Formula: C22H30N4O4 MolecularWeight: 414.498

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H30N4O4/c1-4-6-11-26-19(27)15-16(20(26)28)22(21(29)30,12(3)5-2)25-17(15)13-7-9-14(10-8-13)18(23)24/h7-10,12,15-17,25H,4-6,11H2,1-3H3,(H3,23,24)(H,29,30)