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

Systemtic Name: 5-(3-azanyl-3-oxidanylidene-propyl)-4-(4-carbamimidoylphenyl)-6-(hydroxymethyl)-2-methyl-1,3-bis(oxidanylidene)-6,6a-dihydro-3aH-pyrrolo[3,4-c]pyrrole-4-carboxylic acid Openeye Name: 5-(3-amino-3-oxo-propyl)-4-(4-carbamimidoylphenyl)-6-(hydroxymethyl)-2-methyl-1,3-dioxo-6,6a-dihydro-3aH-pyrrolo[3,4-c]pyrrole-4-carboxylic acid CAS Name: 5-(3-amino-3-oxopropyl)-4-(4-carbamimidoylphenyl)-6-(hydroxymethyl)-2-methyl-1,3-dioxo-6,6a-dihydro-3aH-pyrrolo[3,4-c]pyrrole-4-carboxylic acid IUPAC Name: 5-(3-amino-3-oxopropyl)-4-(4-carbamimidoylphenyl)-6-(hydroxymethyl)-2-methyl-1,3-dioxo-6,6a-dihydro-3aH-pyrrolo[3,4-c]pyrrole-4-carboxylic acid Traditional Name: 4-(4-amidinophenyl)-5-(3-amino-3-keto-propyl)-1,3-diketo-2-methyl-6-methylol-6,6a-dihydro-3aH-pyrrolo[3,4-c]pyrrole-4-carboxylic acid Formula: C19H23N5O6 MolecularWeight: 417.41582

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2C(N(C(C2C1=O)(C3=CC=C(C=C3)C(=N)N)C(=O)O)CCC(=O)N)CO

Isomeric SMILES

CN1C(=O)C2C(N(C(C2C1=O)(C3=CC=C(C=C3)C(=N)N)C(=O)O)CCC(=O)N)CO

InChI

InChI=1S/C19H23N5O6/c1-23-16(27)13-11(8-25)24(7-6-12(20)26)19(18(29)30,14(13)17(23)28)10-4-2-9(3-5-10)15(21)22/h2-5,11,13-14,25H,6-8H2,1H3,(H2,20,26)(H3,21,22)(H,29,30)