3-[4-[3-(4-carbamimidoylphenoxy)propyl]-2,3-bis(oxidanylidene)pyrazin-1-yl]-3-pyridin-3-yl-propanoic acid

Systemtic Name: 3-[4-[3-(4-carbamimidoylphenoxy)propyl]-2,3-bis(oxidanylidene)pyrazin-1-yl]-3-pyridin-3-yl-propanoic acid Openeye Name: 3-[4-[3-(4-carbamimidoylphenoxy)propyl]-2,3-dioxo-pyrazin-1-yl]-3-(3-pyridyl)propanoic acid CAS Name: 3-[4-[3-(4-carbamimidoylphenoxy)propyl]-2,3-dioxo-1-pyrazinyl]-3-(3-pyridinyl)propanoic acid IUPAC Name: 3-[4-[3-(4-carbamimidoylphenoxy)propyl]-2,3-dioxopyrazin-1-yl]-3-pyridin-3-ylpropanoic acid Traditional Name: 3-[4-[3-(4-amidinophenoxy)propyl]-2,3-diketo-pyrazin-1-yl]-3-(3-pyridyl)propionic acid Formula: C22H23N5O5 MolecularWeight: 437.44852

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CN=C1)C(CC(=O)O)N2C=CN(C(=O)C2=O)CCCOC3=CC=C(C=C3)C(=N)N

Isomeric SMILES

C1=CC(=CN=C1)C(CC(=O)O)N2C=CN(C(=O)C2=O)CCCOC3=CC=C(C=C3)C(=N)N

InChI

InChI=1S/C22H23N5O5/c23-20(24)15-4-6-17(7-5-15)32-12-2-9-26-10-11-27(22(31)21(26)30)18(13-19(28)29)16-3-1-8-25-14-16/h1,3-8,10-11,14,18H,2,9,12-13H2,(H3,23,24)(H,28,29)