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

Systemtic Name: 5-(3-azanyl-3-oxidanylidene-propyl)-6-(4-carbamimidoylphenyl)-2,4-dimethyl-1,3-bis(oxidanylidene)-6,6a-dihydro-3aH-pyrrolo[3,4-c]pyrrole-4-carboxylic acid Openeye Name: 5-(3-amino-3-oxo-propyl)-6-(4-carbamimidoylphenyl)-2,4-dimethyl-1,3-dioxo-6,6a-dihydro-3aH-pyrrolo[3,4-c]pyrrole-4-carboxylic acid CAS Name: 5-(3-amino-3-oxopropyl)-6-(4-carbamimidoylphenyl)-2,4-dimethyl-1,3-dioxo-6,6a-dihydro-3aH-pyrrolo[3,4-c]pyrrole-4-carboxylic acid IUPAC Name: 5-(3-amino-3-oxopropyl)-6-(4-carbamimidoylphenyl)-2,4-dimethyl-1,3-dioxo-6,6a-dihydro-3aH-pyrrolo[3,4-c]pyrrole-4-carboxylic acid Traditional Name: 6-(4-amidinophenyl)-5-(3-amino-3-keto-propyl)-1,3-diketo-2,4-dimethyl-6,6a-dihydro-3aH-pyrrolo[3,4-c]pyrrole-4-carboxylic acid Formula: C19H23N5O5 MolecularWeight: 401.41642

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C2C(C(N1CCC(=O)N)C3=CC=C(C=C3)C(=N)N)C(=O)N(C2=O)C)C(=O)O

Isomeric SMILES

CC1(C2C(C(N1CCC(=O)N)C3=CC=C(C=C3)C(=N)N)C(=O)N(C2=O)C)C(=O)O

InChI

InChI=1S/C19H23N5O5/c1-19(18(28)29)13-12(16(26)23(2)17(13)27)14(24(19)8-7-11(20)25)9-3-5-10(6-4-9)15(21)22/h3-6,12-14H,7-8H2,1-2H3,(H2,20,25)(H3,21,22)(H,28,29)