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

Systemtic Name: 1-(4-carbamimidoylphenyl)-3-(2-methylsulfanylethyl)-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)-3-(2-methylsulfanylethyl)-4,6-dioxo-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid CAS Name: 1-(4-carbamimidoylphenyl)-3-[2-(methylthio)ethyl]-4,6-dioxo-5-(phenylmethyl)-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid IUPAC Name: 5-benzyl-1-(4-carbamimidoylphenyl)-3-(2-methylsulfanylethyl)-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-[2-(methylthio)ethyl]-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid Formula: C24H26N4O4S MolecularWeight: 466.55264

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC1(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

CSCCC1(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/C24H26N4O4S/c1-33-12-11-24(23(31)32)18-17(19(27-24)15-7-9-16(10-8-15)20(25)26)21(29)28(22(18)30)13-14-5-3-2-4-6-14/h2-10,17-19,27H,11-13H2,1H3,(H3,25,26)(H,31,32)