5-(3-azanyl-3-oxidanylidene-propyl)-4-(4-carbamimidoylphenyl)-2-methyl-6-(2-methylpropyl)-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)-2-methyl-6-(2-methylpropyl)-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-isobutyl-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)-2-methyl-6-(2-methylpropyl)-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)-2-methyl-6-(2-methylpropyl)-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)-6-isobutyl-1,3-diketo-2-methyl-6,6a-dihydro-3aH-pyrrolo[3,4-c]pyrrole-4-carboxylic acid Formula: C22H29N5O5 MolecularWeight: 443.49616

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H29N5O5/c1-11(2)10-14-16-17(20(30)26(3)19(16)29)22(21(31)32,27(14)9-8-15(23)28)13-6-4-12(5-7-13)18(24)25/h4-7,11,14,16-17H,8-10H2,1-3H3,(H2,23,28)(H3,24,25)(H,31,32)