2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(1-phenethylimidazol-4-yl)propanoic acid

Systemtic Name: 2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(1-phenethylimidazol-4-yl)propanoic acid Openeye Name: 2-(tert-butoxycarbonylamino)-3-(1-phenethylimidazol-4-yl)propanoic acid CAS Name: 2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-3-(1-phenethyl-4-imidazolyl)propanoic acid IUPAC Name: 2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(1-phenethylimidazol-4-yl)propanoic acid Traditional Name: 2-(tert-butoxycarbonylamino)-3-(1-phenethylimidazol-4-yl)propionic acid Formula: C19H25N3O4 MolecularWeight: 359.4195

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CC1=CN(C=N1)CCC2=CC=CC=C2)C(=O)O

Isomeric SMILES

CC(C)(C)OC(=O)NC(CC1=CN(C=N1)CCC2=CC=CC=C2)C(=O)O

InChI

InChI=1S/C19H25N3O4/c1-19(2,3)26-18(25)21-16(17(23)24)11-15-12-22(13-20-15)10-9-14-7-5-4-6-8-14/h4-8,12-13,16H,9-11H2,1-3H3,(H,21,25)(H,23,24)