CAS Registry Number: 82278-73-7

Name:

L-​Phenylalanine, 3-​bromo-​N-​[(1,​1-​dimethylethoxy)​carbonyl]​-
(2S)​-​3-​(3-​Bromophenyl)​-​2-​(tert-​butoxycarbonylamino)​propionic acid; (S)​-​3-​(3-​Bromophenyl)​-​2-​[(tert-​butoxycarbonyl)​amino]​propanoic acid; (S)​-​3-​(3-​Bromophenyl)​-​2-​[(tert-​butoxycarbonyl)​amino]​propionic acid 

Chemical Formula: C14H18BrNO4
Exact Mass: 343.04
Molecular Weight: 344.20
m/z: 343.04 (100.0%), 345.04 (97.3%), 344.05 (15.5%), 346.04 (15.2%), 345.05 (1.9%), 347.05 (1.1%)

InChI: InChI=1S/C14H18BrNO4/c1-14(2,3)20-13(19)16-11(12(17)18)8-9-5-4-6-10(15)7-9/h4-7,11H,8H2,1-3H3,(H,16,19)(H,17,18)/t11-/m0/s1
InChIKey: FBUDYESOPLBQIR-NSHDSACASA-N
Canonical SMILES : CC(C)(C)OC(=O)NC(CC1=CC(=CC=C1)Br)C(=O)O
Isomeric SMILES: CC(C)(C)OC(=O)N[C@@H](CC1=CC(=CC=C1)Br)C(=O)O

Specification

98%

PCT Int. Appl. (2014), WO 2014110296 A1 20140717. 

PCT Int. Appl. (2014), WO 2014018748 A1 20140130.