(4-carbamimidoylphenyl) 3-[4-azanyl-3-(4-oxidanylidenebutanoyl)pyridin-2-yl]propanoate

Systemtic Name: (4-carbamimidoylphenyl) 3-[4-azanyl-3-(4-oxidanylidenebutanoyl)pyridin-2-yl]propanoate Openeye Name: (4-carbamimidoylphenyl) 3-[4-amino-3-(4-oxobutanoyl)-2-pyridyl]propanoate CAS Name: 3-[4-amino-3-(1,4-dioxobutyl)-2-pyridinyl]propanoic acid (4-carbamimidoylphenyl) ester IUPAC Name: (4-carbamimidoylphenyl) 3-[4-amino-3-(4-oxobutanoyl)pyridin-2-yl]propanoate Traditional Name: 3-[4-amino-3-(4-ketobutanoyl)-2-pyridyl]propionic acid (4-amidinophenyl) ester Formula: C19H20N4O4 MolecularWeight: 368.3865

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=N)N)OC(=O)CCC2=NC=CC(=C2C(=O)CCC=O)N

Isomeric SMILES

C1=CC(=CC=C1C(=N)N)OC(=O)CCC2=NC=CC(=C2C(=O)CCC=O)N

InChI

InChI=1S/C19H20N4O4/c20-14-9-10-23-15(18(14)16(25)2-1-11-24)7-8-17(26)27-13-5-3-12(4-6-13)19(21)22/h3-6,9-11H,1-2,7-8H2,(H2,20,23)(H3,21,22)