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

Systemtic Name: 2-(3-azanyl-3-oxidanylidene-propyl)-3-(4-carbamimidoylphenyl)-4,6-bis(oxidanylidene)-5-phenyl-1-propan-2-yl-3a,6a-dihydro-1H-pyrrolo[3,4-c]pyrrole-3-carboxylic acid Openeye Name: 2-(3-amino-3-oxo-propyl)-3-(4-carbamimidoylphenyl)-1-isopropyl-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)-4,6-dioxo-5-phenyl-1-propan-2-yl-3a,6a-dihydro-1H-pyrrolo[3,4-c]pyrrole-3-carboxylic acid IUPAC Name: 2-(3-amino-3-oxopropyl)-3-(4-carbamimidoylphenyl)-4,6-dioxo-5-phenyl-1-propan-2-yl-3a,6a-dihydro-1H-pyrrolo[3,4-c]pyrrole-3-carboxylic acid Traditional Name: 3-(4-amidinophenyl)-2-(3-amino-3-keto-propyl)-1-isopropyl-4,6-diketo-5-phenyl-3a,6a-dihydro-1H-pyrrolo[3,4-c]pyrrole-3-carboxylic acid Formula: C26H29N5O5 MolecularWeight: 491.53896

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1C2C(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)C1C2C(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/C26H29N5O5/c1-14(2)21-19-20(24(34)31(23(19)33)17-6-4-3-5-7-17)26(25(35)36,30(21)13-12-18(27)32)16-10-8-15(9-11-16)22(28)29/h3-11,14,19-21H,12-13H2,1-2H3,(H2,27,32)(H3,28,29)(H,35,36)