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

Systemtic Name: (3S)-3-(2-bromophenyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid Openeye Name: (3S)-3-(2-bromophenyl)-3-(tert-butoxycarbonylamino)propanoic acid CAS Name: (3S)-3-(2-bromophenyl)-3-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]propanoic acid IUPAC Name: (3S)-3-(2-bromophenyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid Traditional Name: (3S)-3-(2-bromophenyl)-3-(tert-butoxycarbonylamino)propionic acid Formula: C14H18BrNO4 MolecularWeight: 344.20102

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CC(=O)O)C1=CC=CC=C1Br

Isomeric SMILES

CC(C)(C)OC(=O)N[C@@H](CC(=O)O)C1=CC=CC=C1Br

InChI

InChI=1S/C14H18BrNO4/c1-14(2,3)20-13(19)16-11(8-12(17)18)9-6-4-5-7-10(9)15/h4-7,11H,8H2,1-3H3,(H,16,19)(H,17,18)/t11-/m0/s1