5-(3-azanyl-3-oxidanylidene-propyl)-4-(4-carbamimidoylphenyl)-2-methyl-1,3-bis(oxidanylidene)-6-propan-2-yl-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-1,3-bis(oxidanylidene)-6-propan-2-yl-6,6a-dihydro-3aH-pyrrolo[3,4-c]pyrrole-4-carboxylic acid Openeye Name: 5-(3-amino-3-oxo-propyl)-4-(4-carbamimidoylphenyl)-6-isopropyl-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-1,3-dioxo-6-propan-2-yl-6,6a-dihydro-3aH-pyrrolo[3,4-c]pyrrole-4-carboxylic acid IUPAC Name: 5-(3-amino-3-oxopropyl)-4-(4-carbamimidoylphenyl)-2-methyl-1,3-dioxo-6-propan-2-yl-6,6a-dihydro-3aH-pyrrolo[3,4-c]pyrrole-4-carboxylic acid Traditional Name: 4-(4-amidinophenyl)-5-(3-amino-3-keto-propyl)-6-isopropyl-1,3-diketo-2-methyl-6,6a-dihydro-3aH-pyrrolo[3,4-c]pyrrole-4-carboxylic acid Formula: C21H27N5O5 MolecularWeight: 429.46958

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1C2C(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)C1C2C(C(=O)N(C2=O)C)C(N1CCC(=O)N)(C3=CC=C(C=C3)C(=N)N)C(=O)O

InChI

InChI=1S/C21H27N5O5/c1-10(2)16-14-15(19(29)25(3)18(14)28)21(20(30)31,26(16)9-8-13(22)27)12-6-4-11(5-7-12)17(23)24/h4-7,10,14-16H,8-9H2,1-3H3,(H2,22,27)(H3,23,24)(H,30,31)