2-[2,3-bis(oxidanylidene)-1H-pyrazin-4-yl]-5-(4-carbamimidoylphenoxy)pentanoic acid

Systemtic Name: 2-[2,3-bis(oxidanylidene)-1H-pyrazin-4-yl]-5-(4-carbamimidoylphenoxy)pentanoic acid Openeye Name: 5-(4-carbamimidoylphenoxy)-2-(2,3-dioxo-1H-pyrazin-4-yl)pentanoic acid CAS Name: 5-(4-carbamimidoylphenoxy)-2-(2,3-dioxo-1H-pyrazin-4-yl)pentanoic acid IUPAC Name: 5-(4-carbamimidoylphenoxy)-2-(2,3-dioxo-1H-pyrazin-4-yl)pentanoic acid Traditional Name: 5-(4-amidinophenoxy)-2-(2,3-diketo-1H-pyrazin-4-yl)valeric acid Formula: C16H18N4O5 MolecularWeight: 346.33792

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=N)N)OCCCC(C(=O)O)N2C=CNC(=O)C2=O

Isomeric SMILES

C1=CC(=CC=C1C(=N)N)OCCCC(C(=O)O)N2C=CNC(=O)C2=O

InChI

InChI=1S/C16H18N4O5/c17-13(18)10-3-5-11(6-4-10)25-9-1-2-12(16(23)24)20-8-7-19-14(21)15(20)22/h3-8,12H,1-2,9H2,(H3,17,18)(H,19,21)(H,23,24)