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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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