3-[1-[6-[4-(aminomethyl)phenyl]pyridazin-3-yl]imidazol-4-yl]-2-azanyl-propanoic acid

Systemtic Name: 3-[1-[6-[4-(aminomethyl)phenyl]pyridazin-3-yl]imidazol-4-yl]-2-azanyl-propanoic acid Openeye Name: 2-amino-3-[1-[6-[4-(aminomethyl)phenyl]pyridazin-3-yl]imidazol-4-yl]propanoic acid CAS Name: 2-amino-3-[1-[6-[4-(aminomethyl)phenyl]-3-pyridazinyl]-4-imidazolyl]propanoic acid IUPAC Name: 2-amino-3-[1-[6-[4-(aminomethyl)phenyl]pyridazin-3-yl]imidazol-4-yl]propanoic acid Traditional Name: 2-amino-3-[1-[6-[4-(aminomethyl)phenyl]pyridazin-3-yl]imidazol-4-yl]propionic acid Formula: C17H18N6O2 MolecularWeight: 338.36382

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CN)C2=NN=C(C=C2)N3C=C(N=C3)CC(C(=O)O)N

Isomeric SMILES

C1=CC(=CC=C1CN)C2=NN=C(C=C2)N3C=C(N=C3)CC(C(=O)O)N

InChI

InChI=1S/C17H18N6O2/c18-8-11-1-3-12(4-2-11)15-5-6-16(22-21-15)23-9-13(20-10-23)7-14(19)17(24)25/h1-6,9-10,14H,7-8,18-19H2,(H,24,25)