SpectraBase Spectrum ID |
Dj4rwPedsVQ |
Name |
L-Tyrosine, 3-[4-[2-carboxy-2-[(trifluoroacetyl)amino]ethyl]phenoxy]-N-[(phenylmethoxy)carbonyl]-O-(phenylmethyl)-, .alpha.-methyl ester, (S)- |
Alternate Name(s) |
(2S)-3-{4-[2-(benzyloxy)-5-((2S)-2-{[(benzyloxy)carbonyl]amino}-3-methoxy-3-oxopropyl)phenoxy]phenyl}-2-[(trifluoroacetyl)amino]propanoic acid
(S)-N-(2,2,2-trifluoroacetyl)-O-[5-[2-[[(phenylmethoxy)carbonyl]amino]-2-(methoxycarbonyl)ethyl]-2-(phenylmethoxy)phenyl]-L-tyrosine |
CAS Registry Number |
120363-20-4 |
Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
Formula |
C36H33F3N2O9 |
InChI |
InChI=1S/C36H33F3N2O9/c1-47-33(44)29(41-35(46)49-22-25-10-6-3-7-11-25)19-26-14-17-30(48-21-24-8-4-2-5-9-24)31(20-26)50-27-15-12-23(13-16-27)18-28(32(42)43)40-34(45)36(37,38)39/h2-17,20,28-29H,18-19,21-22H2,1H3,(H,40,45)(H,41,46)(H,42,43)/t28-,29-/m0/s1 |
InChIKey |
WGNLQGCYNZOXOP-VMPREFPWSA-N |
Molecular Weight |
694.660 g/mol |
SMILES |
N(C(C(F)(F)F)=O)[C@@](Cc1ccc(Oc2cc(C[C@](NC(=O)OCc3ccccc3)(C(=O)OC)[H])ccc2OCc2ccccc2)cc1)(C(=O)O)[H] |
SPLASH |
splash10-01ox-9000033000-33298d0a9c529f1cad7a |
Source of Spectrum |
J-55-6012-106 |
Wiley ID |
1414855 |