3-[[6-(4-carbamimidoylphenyl)-2-oxidanylidene-1,3-diazinan-1-yl]-ethanoyl-amino]propanoic acid

Systemtic Name: 3-[[6-(4-carbamimidoylphenyl)-2-oxidanylidene-1,3-diazinan-1-yl]-ethanoyl-amino]propanoic acid Openeye Name: 3-[acetyl-[6-(4-carbamimidoylphenyl)-2-oxo-hexahydropyrimidin-1-yl]amino]propanoic acid CAS Name: 3-[acetyl-[6-(4-carbamimidoylphenyl)-2-oxo-1,3-diazinan-1-yl]amino]propanoic acid IUPAC Name: 3-[acetyl-[6-(4-carbamimidoylphenyl)-2-oxo-1,3-diazinan-1-yl]amino]propanoic acid Traditional Name: 3-[acetyl-[6-(4-amidinophenyl)-2-keto-hexahydropyrimidin-1-yl]amino]propionic acid Formula: C16H21N5O4 MolecularWeight: 347.36904

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N(CCC(=O)O)N1C(CCNC1=O)C2=CC=C(C=C2)C(=N)N

Isomeric SMILES

CC(=O)N(CCC(=O)O)N1C(CCNC1=O)C2=CC=C(C=C2)C(=N)N

InChI

InChI=1S/C16H21N5O4/c1-10(22)20(9-7-14(23)24)21-13(6-8-19-16(21)25)11-2-4-12(5-3-11)15(17)18/h2-5,13H,6-9H2,1H3,(H3,17,18)(H,19,25)(H,23,24)