3-[2-[[5-(4-carbamimidoylphenyl)-2-oxidanylidene-imidazolidin-1-yl]-ethanoyl-amino]pyridin-3-yl]propanoic acid

Systemtic Name: 3-[2-[[5-(4-carbamimidoylphenyl)-2-oxidanylidene-imidazolidin-1-yl]-ethanoyl-amino]pyridin-3-yl]propanoic acid Openeye Name: 3-[2-[acetyl-[5-(4-carbamimidoylphenyl)-2-oxo-imidazolidin-1-yl]amino]-3-pyridyl]propanoic acid CAS Name: 3-[2-[acetyl-[5-(4-carbamimidoylphenyl)-2-oxo-1-imidazolidinyl]amino]-3-pyridinyl]propanoic acid IUPAC Name: 3-[2-[acetyl-[5-(4-carbamimidoylphenyl)-2-oxoimidazolidin-1-yl]amino]pyridin-3-yl]propanoic acid Traditional Name: 3-[2-[acetyl-[5-(4-amidinophenyl)-2-keto-imidazolidin-1-yl]amino]-3-pyridyl]propionic acid Formula: C20H22N6O4 MolecularWeight: 410.42648

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N(C1=C(C=CC=N1)CCC(=O)O)N2C(CNC2=O)C3=CC=C(C=C3)C(=N)N

Isomeric SMILES

CC(=O)N(C1=C(C=CC=N1)CCC(=O)O)N2C(CNC2=O)C3=CC=C(C=C3)C(=N)N

InChI

InChI=1S/C20H22N6O4/c1-12(27)25(19-15(3-2-10-23-19)8-9-17(28)29)26-16(11-24-20(26)30)13-4-6-14(7-5-13)18(21)22/h2-7,10,16H,8-9,11H2,1H3,(H3,21,22)(H,24,30)(H,28,29)