(2S)-3-(1-ethyl-2-propyl-imidazol-4-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid

Systemtic Name: (2S)-3-(1-ethyl-2-propyl-imidazol-4-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid Openeye Name: (2S)-2-(tert-butoxycarbonylamino)-3-(1-ethyl-2-propyl-imidazol-4-yl)propanoic acid CAS Name: (2S)-3-(1-ethyl-2-propyl-4-imidazolyl)-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]propanoic acid IUPAC Name: (2S)-3-(1-ethyl-2-propylimidazol-4-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid Traditional Name: (2S)-2-(tert-butoxycarbonylamino)-3-(1-ethyl-2-propyl-imidazol-4-yl)propionic acid Formula: C16H27N3O4 MolecularWeight: 325.40328

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC(=CN1CC)CC(C(=O)O)NC(=O)OC(C)(C)C

Isomeric SMILES

CCCC1=NC(=CN1CC)C[C@@H](C(=O)O)NC(=O)OC(C)(C)C

InChI

InChI=1S/C16H27N3O4/c1-6-8-13-17-11(10-19(13)7-2)9-12(14(20)21)18-15(22)23-16(3,4)5/h10,12H,6-9H2,1-5H3,(H,18,22)(H,20,21)/t12-/m0/s1