(phenylmethyl) (2S)-3-cyano-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate

Systemtic Name: (phenylmethyl) (2S)-3-cyano-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate Openeye Name: benzyl (2S)-2-(tert-butoxycarbonylamino)-3-cyano-propanoate CAS Name: (2S)-3-cyano-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]propanoic acid (phenylmethyl) ester IUPAC Name: benzyl (2S)-3-cyano-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate Traditional Name: (2S)-2-(tert-butoxycarbonylamino)-3-cyano-propionic acid benzyl ester Formula: C16H20N2O4 MolecularWeight: 304.341

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CC#N)C(=O)OCC1=CC=CC=C1

Isomeric SMILES

CC(C)(C)OC(=O)N[C@@H](CC#N)C(=O)OCC1=CC=CC=C1

InChI

InChI=1S/C16H20N2O4/c1-16(2,3)22-15(20)18-13(9-10-17)14(19)21-11-12-7-5-4-6-8-12/h4-8,13H,9,11H2,1-3H3,(H,18,20)/t13-/m0/s1