3-[4-[5-(4-carbamimidoylphenyl)pyrimidin-2-yl]carbonylpiperazin-1-yl]propanoic acid

Systemtic Name: 3-[4-[5-(4-carbamimidoylphenyl)pyrimidin-2-yl]carbonylpiperazin-1-yl]propanoic acid Openeye Name: 3-[4-[5-(4-carbamimidoylphenyl)pyrimidine-2-carbonyl]piperazin-1-yl]propanoic acid CAS Name: 3-[4-[[5-(4-carbamimidoylphenyl)-2-pyrimidinyl]-oxomethyl]-1-piperazinyl]propanoic acid IUPAC Name: 3-[4-[5-(4-carbamimidoylphenyl)pyrimidine-2-carbonyl]piperazin-1-yl]propanoic acid Traditional Name: 3-[4-[5-(4-amidinophenyl)pyrimidine-2-carbonyl]piperazino]propionic acid Formula: C19H22N6O3 MolecularWeight: 382.41638

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCC(=O)O)C(=O)C2=NC=C(C=N2)C3=CC=C(C=C3)C(=N)N

Isomeric SMILES

C1CN(CCN1CCC(=O)O)C(=O)C2=NC=C(C=N2)C3=CC=C(C=C3)C(=N)N

InChI

InChI=1S/C19H22N6O3/c20-17(21)14-3-1-13(2-4-14)15-11-22-18(23-12-15)19(28)25-9-7-24(8-10-25)6-5-16(26)27/h1-4,11-12H,5-10H2,(H3,20,21)(H,26,27)