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

Systemtic Name: 3-butan-2-yl-1-(4-carbamimidoylphenyl)-4,6-bis(oxidanylidene)-5-(phenylmethyl)-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid Openeye Name: 5-benzyl-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-1-(4-carbamimidoylphenyl)-4,6-dioxo-5-(phenylmethyl)-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid IUPAC Name: 5-benzyl-3-butan-2-yl-1-(4-carbamimidoylphenyl)-4,6-dioxo-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid Traditional Name: 1-(4-amidinophenyl)-5-benzyl-4,6-diketo-3-sec-butyl-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid Formula: C25H28N4O4 MolecularWeight: 448.51422

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1(C2C(C(N1)C3=CC=C(C=C3)C(=N)N)C(=O)N(C2=O)CC4=CC=CC=C4)C(=O)O

Isomeric SMILES

CCC(C)C1(C2C(C(N1)C3=CC=C(C=C3)C(=N)N)C(=O)N(C2=O)CC4=CC=CC=C4)C(=O)O

InChI

InChI=1S/C25H28N4O4/c1-3-14(2)25(24(32)33)19-18(20(28-25)16-9-11-17(12-10-16)21(26)27)22(30)29(23(19)31)13-15-7-5-4-6-8-15/h4-12,14,18-20,28H,3,13H2,1-2H3,(H3,26,27)(H,32,33)