190273-89-3 Purity
98%
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The molecular formula of (S)-N-Boc-4-bromophenylalanine is C14H18BrNO4.
The molecular weight of (S)-N-Boc-4-bromophenylalanine is 344.20 g/mol.
The IUPAC name of (S)-N-Boc-4-bromophenylalanine is (2S)-3-(4-bromophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid.
The InChI of (S)-N-Boc-4-bromophenylalanine is InChI=1S/C14H18BrNO4/c1-14(2,3)20-13(19)16-11(12(17)18)8-9-4-6-10(15)7-5-9/h4-7,11H,8H2,1-3H3,(H,16,19)(H,17,18)/t11-/m0/s1.
The InChIKey of (S)-N-Boc-4-bromophenylalanine is ULNOXUAEIPUJMK-NSHDSACASA-N.
The canonical SMILES of (S)-N-Boc-4-bromophenylalanine is CC(C)(C)OC(=O)NC(CC1=CC=C(C=C1)Br)C(=O)O.
The isomeric SMILES of (S)-N-Boc-4-bromophenylalanine is CC(C)(C)OC(=O)N[C@@H](CC1=CC=C(C=C1)Br)C(=O)O.
The CAS number of (S)-N-Boc-4-bromophenylalanine is 62129-39-9.
The XLogP3 value of (S)-N-Boc-4-bromophenylalanine is 2.5.
Yes, (S)-N-Boc-4-bromophenylalanine is a canonicalized compound according to PubChem.