| CAS Number | 203640-52-2 |
| Catalog Number | AG00I3U5(AGN-PC-0O7BJK) |
| Chemical Name | Z-Val-otfa |
| IUPAC Name | 2,2,2-trifluoroethyl (2S)-3-methyl-2-(phenylmethoxycarbonylamino)butanoate |
| InChI | InChI=1S/C15H18F3NO4/c1-10(2)12(13(20)23-9-15(16,17)18)19-14(21)22-8-11-6-4-3-5-7-11/h3-7,10,12H,8-9H2,1-2H3,(H,19,21)/t12-/m0/s1 |
| InChI Key | MGBJQOMWGYZJTQ-LBPRGKRZSA-N |
| MDL Number | MFCD03788136 |
| Molecular Formula | C15H18F3NO4 |
| Molecular Weight | 333.3029 |
| SMILES | CC([C@@H](C(=O)OCC(F)(F)F)NC(=O)OCc1ccccc1)C |
| Synonyms | Z-Val-otfa,
203640-52-2,
Z-L-valine trifluoroethyl ester,
Z-L-VAL-OTFA,
ZINC2510602,
KM5614,
MFCD03788136,
N-(Benzyloxycarbonyl)-L-valine 2,2,2-trifluoroethyl ester,
|
| Complexity | 393 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 333.119g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 23 |
| Hydrogen Bond Acceptor Count | 7 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 333.307g/mol |
| Monoisotopic Mass | 333.119g/mol |
| Rotatable Bond Count | 8 |
| Topological Polar Surface Area | 64.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.8 |
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Certificate of Analysis
Lot Number