3-[4-[4-aminocarbonyl-3-(4-carbamimidoylphenyl)-1H-pyrazol-5-yl]phenyl]propanoic acid

Systemtic Name: 3-[4-[4-aminocarbonyl-3-(4-carbamimidoylphenyl)-1H-pyrazol-5-yl]phenyl]propanoic acid Openeye Name: 3-[4-[3-(4-carbamimidoylphenyl)-4-carbamoyl-1H-pyrazol-5-yl]phenyl]propanoic acid CAS Name: 3-[4-[3-(4-carbamimidoylphenyl)-4-carbamoyl-1H-pyrazol-5-yl]phenyl]propanoic acid IUPAC Name: 3-[4-[3-(4-carbamimidoylphenyl)-4-carbamoyl-1H-pyrazol-5-yl]phenyl]propanoic acid Traditional Name: 3-[4-[3-(4-amidinophenyl)-4-carbamoyl-1H-pyrazol-5-yl]phenyl]propionic acid Formula: C20H19N5O3 MolecularWeight: 377.39656

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CCC(=O)O)C2=C(C(=NN2)C3=CC=C(C=C3)C(=N)N)C(=O)N

Isomeric SMILES

C1=CC(=CC=C1CCC(=O)O)C2=C(C(=NN2)C3=CC=C(C=C3)C(=N)N)C(=O)N

InChI

InChI=1S/C20H19N5O3/c21-19(22)14-8-6-13(7-9-14)18-16(20(23)28)17(24-25-18)12-4-1-11(2-5-12)3-10-15(26)27/h1-2,4-9H,3,10H2,(H3,21,22)(H2,23,28)(H,24,25)(H,26,27)