3-(1H-imidazol-5-yl)-2-[2-(4-phenyldiazenylphenyl)propan-2-yloxycarbonylamino]propanoic acid

Systemtic Name: 3-(1H-imidazol-5-yl)-2-[2-(4-phenyldiazenylphenyl)propan-2-yloxycarbonylamino]propanoic acid Openeye Name: 3-(1H-imidazol-5-yl)-2-[[1-methyl-1-(4-phenylazophenyl)ethoxy]carbonylamino]propanoic acid CAS Name: 3-(1H-imidazol-5-yl)-2-[[oxo-[2-(4-phenyldiazenylphenyl)propan-2-yloxy]methyl]amino]propanoic acid IUPAC Name: 3-(1H-imidazol-5-yl)-2-[2-(4-phenyldiazenylphenyl)propan-2-yloxycarbonylamino]propanoic acid Traditional Name: 3-(1H-imidazol-5-yl)-2-[[1-methyl-1-(4-phenylazophenyl)ethoxy]carbonylamino]propionic acid Formula: C22H23N5O4 MolecularWeight: 421.44912

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C1=CC=C(C=C1)N=NC2=CC=CC=C2)OC(=O)NC(CC3=CN=CN3)C(=O)O

Isomeric SMILES

CC(C)(C1=CC=C(C=C1)N=NC2=CC=CC=C2)OC(=O)NC(CC3=CN=CN3)C(=O)O

InChI

InChI=1S/C22H23N5O4/c1-22(2,31-21(30)25-19(20(28)29)12-18-13-23-14-24-18)15-8-10-17(11-9-15)27-26-16-6-4-3-5-7-16/h3-11,13-14,19H,12H2,1-2H3,(H,23,24)(H,25,30)(H,28,29)