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CAS Number: 1258547-47-5
(S)-2-((tert-butoxycarbonyl)amino)-3-(2-nitro-3-(trifluoromethoxy)phenyl)propanoic acid

Structure

 (S)-2-((tert-butoxycarbonyl)amino)-3-(2-nitro-3-(trifluoromethoxy)phenyl)propanoic acid
Name: (S)-2-((tert-butoxycarbonyl)amino)-3-(2-nitro-3-(trifluoromethoxy)phenyl)propanoic acid
Synonyms:
General Information
Product Number: 1258547475

CAS Registry Number 1258547-47-5
Name:
L-?Phenylalanine, N-?[(1,?1-?dimethylethoxy)?carbonyl]?-?2-?nitro-?3-?(trifluoromethoxy)?-

 

Chemical Formula: C15H17F3N2O7
Exact Mass: 394.10
Molecular Weight: 394.30
m/z: 394.10 (100.0%), 395.10 (17.2%), 396.10 (1.6%), 396.11 (1.3%)

 

InChI:InChI=1S/C15H17F3N2O7/c1-14(2,3)27-13(23)19-9(12(21)22)7-8-5-4-6-10(11(8)20(24)25)26-15(16,17)18/h4-6,9H,7H2,1-3H3,(H,19,23)(H,21,22)/t9-/m0/s1

InChI Key:HRZOHDOTEOKQPQ-VIFPVBQESA-N

Canonical SMILES:CC(C)(C)OC(=O)NC(CC1=C(C(=CC=C1)OC(F)(F)F)[N+](=O)[O-])C(=O)O

Specification

98%
References
  1. (1) McAllister, Laura A.; Journal of Organic Chemistry 2011, V76(9), P3484-3497 CAPLUS
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