CAS Number:
198474-90-7
Name:
(S)-2-((tert-butoxycarbonyl)amino)-3-(3,4-difluorophenyl)propanoic acid

Chemical Formula: C14H17F2NO4
Exact Mass: 301.11
Molecular Weight: 301.29
m/z: 301.11 (100.0%), 302.12 (15.5%), 303.12 (1.9%)
Elemental Analysis: C, 55.81; H, 5.69; F, 12.61; N, 4.65; O, 21.24

InChI: InChI=1S/C14H17F2NO4/c1-14(2,
3)21-13(20)17-11(12(18)19)7-8-4-5-9(15)10(16)6-8/h4-6,11H,7H2,1-3H3,(H,
17,20)(H,18,19)/t11-/m0/s1
InChIKey: CYAOPVHXASZUDE-NSHDSACASA-N
Canonical SMILES : CC(C)(C)OC(=O)NC(CC1=CC(=C(C=C1)F)F)C(=O)O

Specification

98%

PCT Int. Appl. (2013), WO 2013005045 A1 20130110.

PCT Int. Appl. (2011), WO 2011051673 A1 20110505

PCT Int. Appl. (2011), WO 2011051672 A1 20110505.