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

Systemtic Name: 3-[1-[4-[4-(aminomethyl)piperidin-1-yl]phenyl]imidazol-4-yl]-2-azanyl-propanoic acid Openeye Name: 2-amino-3-[1-[4-[4-(aminomethyl)-1-piperidyl]phenyl]imidazol-4-yl]propanoic acid CAS Name: 2-amino-3-[1-[4-[4-(aminomethyl)-1-piperidinyl]phenyl]-4-imidazolyl]propanoic acid IUPAC Name: 2-amino-3-[1-[4-[4-(aminomethyl)piperidin-1-yl]phenyl]imidazol-4-yl]propanoic acid Traditional Name: 2-amino-3-[1-[4-[4-(aminomethyl)piperidino]phenyl]imidazol-4-yl]propionic acid Formula: C18H25N5O2 MolecularWeight: 343.4234

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1CN)C2=CC=C(C=C2)N3C=C(N=C3)CC(C(=O)O)N

Isomeric SMILES

C1CN(CCC1CN)C2=CC=C(C=C2)N3C=C(N=C3)CC(C(=O)O)N

InChI

InChI=1S/C18H25N5O2/c19-10-13-5-7-22(8-6-13)15-1-3-16(4-2-15)23-11-14(21-12-23)9-17(20)18(24)25/h1-4,11-13,17H,5-10,19-20H2,(H,24,25)