2-[1-(aminomethyl)-3-[6-(4-carbamimidoylphenyl)pyridazin-3-yl]-2-oxidanylidene-pyrrolidin-3-yl]ethanoic acid

Systemtic Name: 2-[1-(aminomethyl)-3-[6-(4-carbamimidoylphenyl)pyridazin-3-yl]-2-oxidanylidene-pyrrolidin-3-yl]ethanoic acid Openeye Name: 2-[1-(aminomethyl)-3-[6-(4-carbamimidoylphenyl)pyridazin-3-yl]-2-oxo-pyrrolidin-3-yl]acetic acid CAS Name: 2-[1-(aminomethyl)-3-[6-(4-carbamimidoylphenyl)-3-pyridazinyl]-2-oxo-3-pyrrolidinyl]acetic acid IUPAC Name: 2-[1-(aminomethyl)-3-[6-(4-carbamimidoylphenyl)pyridazin-3-yl]-2-oxopyrrolidin-3-yl]acetic acid Traditional Name: 2-[3-[6-(4-amidinophenyl)pyridazin-3-yl]-1-(aminomethyl)-2-keto-pyrrolidin-3-yl]acetic acid Formula: C18H20N6O3 MolecularWeight: 368.3898

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(=O)C1(CC(=O)O)C2=NN=C(C=C2)C3=CC=C(C=C3)C(=N)N)CN

Isomeric SMILES

C1CN(C(=O)C1(CC(=O)O)C2=NN=C(C=C2)C3=CC=C(C=C3)C(=N)N)CN

InChI

InChI=1S/C18H20N6O3/c19-10-24-8-7-18(17(24)27,9-15(25)26)14-6-5-13(22-23-14)11-1-3-12(4-2-11)16(20)21/h1-6H,7-10,19H2,(H3,20,21)(H,25,26)