2-(3-azanyl-3-oxidanylidene-propyl)-5-butyl-3-(4-carbamimidoylphenyl)-1-(hydroxymethyl)-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-(hydroxymethyl)-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-(hydroxymethyl)-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-(hydroxymethyl)-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-(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-butyl-4,6-diketo-1-methylol-3a,6a-dihydro-1H-pyrrolo[3,4-c]pyrrole-3-carboxylic acid Formula: C22H29N5O6 MolecularWeight: 459.49556

Click to see the large picture

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)CO

Isomeric SMILES

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

InChI

InChI=1S/C22H29N5O6/c1-2-3-9-26-19(30)16-14(11-28)27(10-8-15(23)29)22(21(32)33,17(16)20(26)31)13-6-4-12(5-7-13)18(24)25/h4-7,14,16-17,28H,2-3,8-11H2,1H3,(H2,23,29)(H3,24,25)(H,32,33)