methyl (2S)-3-[1-(2-cyanoethyl)imidazol-4-yl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate

Systemtic Name: methyl (2S)-3-[1-(2-cyanoethyl)imidazol-4-yl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate Openeye Name: methyl (2S)-2-(tert-butoxycarbonylamino)-3-[1-(2-cyanoethyl)imidazol-4-yl]propanoate CAS Name: (2S)-3-[1-(2-cyanoethyl)-4-imidazolyl]-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]propanoic acid methyl ester IUPAC Name: methyl (2S)-3-[1-(2-cyanoethyl)imidazol-4-yl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate Traditional Name: (2S)-2-(tert-butoxycarbonylamino)-3-[1-(2-cyanoethyl)imidazol-4-yl]propionic acid methyl ester Formula: C15H22N4O4 MolecularWeight: 322.35958

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CC1=CN(C=N1)CCC#N)C(=O)OC

Isomeric SMILES

CC(C)(C)OC(=O)N[C@@H](CC1=CN(C=N1)CCC#N)C(=O)OC

InChI

InChI=1S/C15H22N4O4/c1-15(2,3)23-14(21)18-12(13(20)22-4)8-11-9-19(10-17-11)7-5-6-16/h9-10,12H,5,7-8H2,1-4H3,(H,18,21)/t12-/m0/s1