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

Systemtic Name: 3-[3-[4-(4-carbamimidoylphenyl)phenyl]-2-oxidanylidene-1,3-diazinan-1-yl]propanoic acid Openeye Name: 3-[3-[4-(4-carbamimidoylphenyl)phenyl]-2-oxo-hexahydropyrimidin-1-yl]propanoic acid CAS Name: 3-[3-[4-(4-carbamimidoylphenyl)phenyl]-2-oxo-1,3-diazinan-1-yl]propanoic acid IUPAC Name: 3-[3-[4-(4-carbamimidoylphenyl)phenyl]-2-oxo-1,3-diazinan-1-yl]propanoic acid Traditional Name: 3-[3-[4-(4-amidinophenyl)phenyl]-2-keto-hexahydropyrimidin-1-yl]propionic acid Formula: C20H22N4O3 MolecularWeight: 366.41368

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(=O)N(C1)C2=CC=C(C=C2)C3=CC=C(C=C3)C(=N)N)CCC(=O)O

Isomeric SMILES

C1CN(C(=O)N(C1)C2=CC=C(C=C2)C3=CC=C(C=C3)C(=N)N)CCC(=O)O

InChI

InChI=1S/C20H22N4O3/c21-19(22)16-4-2-14(3-5-16)15-6-8-17(9-7-15)24-12-1-11-23(20(24)27)13-10-18(25)26/h2-9H,1,10-13H2,(H3,21,22)(H,25,26)