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

Systemtic Name: 2-(3-azanyl-3-oxidanylidene-propyl)-3-(4-carbamimidoylphenyl)-1-(hydroxymethyl)-4,6-bis(oxidanylidene)-5-(phenylmethyl)-3a,6a-dihydro-1H-pyrrolo[3,4-c]pyrrole-3-carboxylic acid Openeye Name: 2-(3-amino-3-oxo-propyl)-5-benzyl-3-(4-carbamimidoylphenyl)-1-(hydroxymethyl)-4,6-dioxo-3a,6a-dihydro-1H-pyrrolo[3,4-c]pyrrole-3-carboxylic acid CAS Name: 2-(3-amino-3-oxopropyl)-3-(4-carbamimidoylphenyl)-1-(hydroxymethyl)-4,6-dioxo-5-(phenylmethyl)-3a,6a-dihydro-1H-pyrrolo[3,4-c]pyrrole-3-carboxylic acid IUPAC Name: 2-(3-amino-3-oxopropyl)-5-benzyl-3-(4-carbamimidoylphenyl)-1-(hydroxymethyl)-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-benzyl-4,6-diketo-1-methylol-3a,6a-dihydro-1H-pyrrolo[3,4-c]pyrrole-3-carboxylic acid Formula: C25H27N5O6 MolecularWeight: 493.51178

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C(=O)C3C(N(C(C3C2=O)(C4=CC=C(C=C4)C(=N)N)C(=O)O)CCC(=O)N)CO

Isomeric SMILES

C1=CC=C(C=C1)CN2C(=O)C3C(N(C(C3C2=O)(C4=CC=C(C=C4)C(=N)N)C(=O)O)CCC(=O)N)CO

InChI

InChI=1S/C25H27N5O6/c26-18(32)10-11-30-17(13-31)19-20(23(34)29(22(19)33)12-14-4-2-1-3-5-14)25(30,24(35)36)16-8-6-15(7-9-16)21(27)28/h1-9,17,19-20,31H,10-13H2,(H2,26,32)(H3,27,28)(H,35,36)