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

Systemtic Name: 2-(3-azanyl-3-oxidanylidene-propyl)-3-(4-carbamimidoylphenyl)-1-(2-methylpropyl)-4,6-bis(oxidanylidene)-5-phenyl-3a,6a-dihydro-1H-pyrrolo[3,4-c]pyrrole-3-carboxylic acid Openeye Name: 2-(3-amino-3-oxo-propyl)-3-(4-carbamimidoylphenyl)-1-isobutyl-4,6-dioxo-5-phenyl-3a,6a-dihydro-1H-pyrrolo[3,4-c]pyrrole-3-carboxylic acid CAS Name: 2-(3-amino-3-oxopropyl)-3-(4-carbamimidoylphenyl)-1-(2-methylpropyl)-4,6-dioxo-5-phenyl-3a,6a-dihydro-1H-pyrrolo[3,4-c]pyrrole-3-carboxylic acid IUPAC Name: 2-(3-amino-3-oxopropyl)-3-(4-carbamimidoylphenyl)-1-(2-methylpropyl)-4,6-dioxo-5-phenyl-3a,6a-dihydro-1H-pyrrolo[3,4-c]pyrrole-3-carboxylic acid Traditional Name: 3-(4-amidinophenyl)-2-(3-amino-3-keto-propyl)-1-isobutyl-4,6-diketo-5-phenyl-3a,6a-dihydro-1H-pyrrolo[3,4-c]pyrrole-3-carboxylic acid Formula: C27H31N5O5 MolecularWeight: 505.56554

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1C2C(C(=O)N(C2=O)C3=CC=CC=C3)C(N1CCC(=O)N)(C4=CC=C(C=C4)C(=N)N)C(=O)O

Isomeric SMILES

CC(C)CC1C2C(C(=O)N(C2=O)C3=CC=CC=C3)C(N1CCC(=O)N)(C4=CC=C(C=C4)C(=N)N)C(=O)O

InChI

InChI=1S/C27H31N5O5/c1-15(2)14-19-21-22(25(35)32(24(21)34)18-6-4-3-5-7-18)27(26(36)37,31(19)13-12-20(28)33)17-10-8-16(9-11-17)23(29)30/h3-11,15,19,21-22H,12-14H2,1-2H3,(H2,28,33)(H3,29,30)(H,36,37)