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

Systemtic Name: (3S)-4-(4-cyanophenyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate Openeye Name: (3S)-3-(tert-butoxycarbonylamino)-4-(4-cyanophenyl)butanoate CAS Name: (3S)-4-(4-cyanophenyl)-3-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]butanoate IUPAC Name: (3S)-4-(4-cyanophenyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate Traditional Name: (3S)-3-(tert-butoxycarbonylamino)-4-(4-cyanophenyl)butyrate Formula: C16H19N2O4- MolecularWeight: 303.33306

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CC1=CC=C(C=C1)C#N)CC(=O)[O-]

Isomeric SMILES

CC(C)(C)OC(=O)N[C@@H](CC1=CC=C(C=C1)C#N)CC(=O)[O-]

InChI

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