(3S)-3-(4-cyanophenyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid

Systemtic Name: (3S)-3-(4-cyanophenyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid Openeye Name: (3S)-3-(tert-butoxycarbonylamino)-3-(4-cyanophenyl)propanoic acid CAS Name: (3S)-3-(4-cyanophenyl)-3-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]propanoic acid IUPAC Name: (3S)-3-(4-cyanophenyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid Traditional Name: (3S)-3-(tert-butoxycarbonylamino)-3-(4-cyanophenyl)propionic acid Formula: C15H18N2O4 MolecularWeight: 290.31442

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H18N2O4/c1-15(2,3)21-14(20)17-12(8-13(18)19)11-6-4-10(9-16)5-7-11/h4-7,12H,8H2,1-3H3,(H,17,20)(H,18,19)/t12-/m0/s1