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

Systemtic Name: 5-butyl-1-(4-carbamimidoylphenyl)-3-(2-methylsulfanylethyl)-4,6-bis(oxidanylidene)-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid Openeye Name: 5-butyl-1-(4-carbamimidoylphenyl)-3-(2-methylsulfanylethyl)-4,6-dioxo-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid CAS Name: 5-butyl-1-(4-carbamimidoylphenyl)-3-[2-(methylthio)ethyl]-4,6-dioxo-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid IUPAC Name: 5-butyl-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-butyl-4,6-diketo-3-[2-(methylthio)ethyl]-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid Formula: C21H28N4O4S MolecularWeight: 432.53642

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H28N4O4S/c1-3-4-10-25-18(26)14-15(19(25)27)21(20(28)29,9-11-30-2)24-16(14)12-5-7-13(8-6-12)17(22)23/h5-8,14-16,24H,3-4,9-11H2,1-2H3,(H3,22,23)(H,28,29)