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

Systemtic Name: 3-[3-[(5-carbamimidoyl-2-oxidanylidene-imidazolidin-1-yl)-ethanoyl-amino]pyridin-2-yl]propanoic acid Openeye Name: 3-[3-[acetyl-(5-carbamimidoyl-2-oxo-imidazolidin-1-yl)amino]-2-pyridyl]propanoic acid CAS Name: 3-[3-[acetyl-(5-carbamimidoyl-2-oxo-1-imidazolidinyl)amino]-2-pyridinyl]propanoic acid IUPAC Name: 3-[3-[acetyl-(5-carbamimidoyl-2-oxoimidazolidin-1-yl)amino]pyridin-2-yl]propanoic acid Traditional Name: 3-[3-[acetyl-(5-amidino-2-keto-imidazolidin-1-yl)amino]-2-pyridyl]propionic acid Formula: C14H18N6O4 MolecularWeight: 334.33052

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H18N6O4/c1-8(21)19(20-11(13(15)16)7-18-14(20)24)10-3-2-6-17-9(10)4-5-12(22)23/h2-3,6,11H,4-5,7H2,1H3,(H3,15,16)(H,18,24)(H,22,23)