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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)N(C1=CC(=CC=C1)Br)C(=O)OC(C)(C)C

Isomeric SMILES

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

InChI

InChI=1S/C14H18BrNO4/c1-9(12(17)18)16(13(19)20-14(2,3)4)11-7-5-6-10(15)8-11/h5-9H,1-4H3,(H,17,18)/t9-/m0/s1