2-(3-azanyl-3-oxidanylidene-propyl)-5-butyl-3-(4-carbamimidoylphenyl)-1-methyl-4,6-bis(oxidanylidene)-3a,6a-dihydro-1H-pyrrolo[3,4-c]pyrrole-3-carboxylic acid

Systemtic Name: 2-(3-azanyl-3-oxidanylidene-propyl)-5-butyl-3-(4-carbamimidoylphenyl)-1-methyl-4,6-bis(oxidanylidene)-3a,6a-dihydro-1H-pyrrolo[3,4-c]pyrrole-3-carboxylic acid Openeye Name: 2-(3-amino-3-oxo-propyl)-5-butyl-3-(4-carbamimidoylphenyl)-1-methyl-4,6-dioxo-3a,6a-dihydro-1H-pyrrolo[3,4-c]pyrrole-3-carboxylic acid CAS Name: 2-(3-amino-3-oxopropyl)-5-butyl-3-(4-carbamimidoylphenyl)-1-methyl-4,6-dioxo-3a,6a-dihydro-1H-pyrrolo[3,4-c]pyrrole-3-carboxylic acid IUPAC Name: 2-(3-amino-3-oxopropyl)-5-butyl-3-(4-carbamimidoylphenyl)-1-methyl-4,6-dioxo-3a,6a-dihydro-1H-pyrrolo[3,4-c]pyrrole-3-carboxylic acid Traditional Name: 3-(4-amidinophenyl)-2-(3-amino-3-keto-propyl)-5-butyl-4,6-diketo-1-methyl-3a,6a-dihydro-1H-pyrrolo[3,4-c]pyrrole-3-carboxylic acid Formula: C22H29N5O5 MolecularWeight: 443.49616

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2C(N(C(C2C1=O)(C3=CC=C(C=C3)C(=N)N)C(=O)O)CCC(=O)N)C

Isomeric SMILES

CCCCN1C(=O)C2C(N(C(C2C1=O)(C3=CC=C(C=C3)C(=N)N)C(=O)O)CCC(=O)N)C

InChI

InChI=1S/C22H29N5O5/c1-3-4-10-26-19(29)16-12(2)27(11-9-15(23)28)22(21(31)32,17(16)20(26)30)14-7-5-13(6-8-14)18(24)25/h5-8,12,16-17H,3-4,9-11H2,1-2H3,(H2,23,28)(H3,24,25)(H,31,32)