(phenylmethyl) (2S)-4-(2-bromophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate

Systemtic Name: (phenylmethyl) (2S)-4-(2-bromophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate Openeye Name: benzyl (2S)-4-(2-bromophenyl)-2-(tert-butoxycarbonylamino)butanoate CAS Name: (2S)-4-(2-bromophenyl)-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]butanoic acid (phenylmethyl) ester IUPAC Name: benzyl (2S)-4-(2-bromophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate Traditional Name: (2S)-4-(2-bromophenyl)-2-(tert-butoxycarbonylamino)butyric acid benzyl ester Formula: C22H26BrNO4 MolecularWeight: 448.35014

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CCC1=CC=CC=C1Br)C(=O)OCC2=CC=CC=C2

Isomeric SMILES

CC(C)(C)OC(=O)N[C@@H](CCC1=CC=CC=C1Br)C(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C22H26BrNO4/c1-22(2,3)28-21(26)24-19(14-13-17-11-7-8-12-18(17)23)20(25)27-15-16-9-5-4-6-10-16/h4-12,19H,13-15H2,1-3H3,(H,24,26)/t19-/m0/s1