5-(3-azanyl-3-oxidanylidene-propyl)-6-(4-carbamimidoylphenyl)-2-methyl-1,3-bis(oxidanylidene)-3a,4,6,6a-tetrahydropyrrolo[3,4-c]pyrrole-4-carboxylic acid

Systemtic Name: 5-(3-azanyl-3-oxidanylidene-propyl)-6-(4-carbamimidoylphenyl)-2-methyl-1,3-bis(oxidanylidene)-3a,4,6,6a-tetrahydropyrrolo[3,4-c]pyrrole-4-carboxylic acid Openeye Name: 5-(3-amino-3-oxo-propyl)-6-(4-carbamimidoylphenyl)-2-methyl-1,3-dioxo-3a,4,6,6a-tetrahydropyrrolo[3,4-c]pyrrole-4-carboxylic acid CAS Name: 5-(3-amino-3-oxopropyl)-6-(4-carbamimidoylphenyl)-2-methyl-1,3-dioxo-3a,4,6,6a-tetrahydropyrrolo[3,4-c]pyrrole-4-carboxylic acid IUPAC Name: 5-(3-amino-3-oxopropyl)-6-(4-carbamimidoylphenyl)-2-methyl-1,3-dioxo-3a,4,6,6a-tetrahydropyrrolo[3,4-c]pyrrole-4-carboxylic acid Traditional Name: 6-(4-amidinophenyl)-5-(3-amino-3-keto-propyl)-1,3-diketo-2-methyl-3a,4,6,6a-tetrahydropyrrolo[3,4-c]pyrrole-4-carboxylic acid Formula: C18H21N5O5 MolecularWeight: 387.38984

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2C(C1=O)C(N(C2C3=CC=C(C=C3)C(=N)N)CCC(=O)N)C(=O)O

Isomeric SMILES

CN1C(=O)C2C(C1=O)C(N(C2C3=CC=C(C=C3)C(=N)N)CCC(=O)N)C(=O)O

InChI

InChI=1S/C18H21N5O5/c1-22-16(25)11-12(17(22)26)14(18(27)28)23(7-6-10(19)24)13(11)8-2-4-9(5-3-8)15(20)21/h2-5,11-14H,6-7H2,1H3,(H2,19,24)(H3,20,21)(H,27,28)