| CAS Number | 212632-22-9 |
| Catalog Number | AG007OKN(AGN-PC-0QXUOW) |
| Chemical Name | Z-Thr(tBu)-OBzl |
| IUPAC Name | benzyl (2S,3R)-3-[(2-methylpropan-2-yl)oxy]-2-(phenylmethoxycarbonylamino)butanoate |
| InChI | InChI=1S/C23H29NO5/c1-17(29-23(2,3)4)20(21(25)27-15-18-11-7-5-8-12-18)24-22(26)28-16-19-13-9-6-10-14-19/h5-14,17,20H,15-16H2,1-4H3,(H,24,26)/t17-,20+/m1/s1 |
| InChI Key | LKKBIFVMIYWAGA-XLIONFOSSA-N |
| MDL Number | MFCD00270628 |
| Molecular Formula | C23H29NO5 |
| Molecular Weight | 399.4801 |
| SMILES | O=C(N[C@@H]([C@H](OC(C)(C)C)C)C(=O)OCc1ccccc1)OCc1ccccc1 |
| Synonyms | 212632-22-9,
Z-O-tert-butyl-L-threonine benzyl ester,
Z-THR(TBU)-OBZL,
C23H29NO5,
(2S,3R)-Benzyl 2-(((benzyloxy)carbonyl)amino)-3-(tert-butoxy)butanoate,
CTK8E9906,
DTXSID50475648,
ZINC2562541,
7968AH,
MFCD00270628,
z-o-t-Butyl-L-threonine benzyl ester,
AKOS027384366,
RT-016320,
K-6110,
Benzyl N-[(benzyloxy)carbonyl]-O-tert-butyl-L-threoninate,
Z-THR -OBZL,
CID12003834,
Benzyl (2S,3R)-3-[(2-methylpropan-2-yl)oxy]-2-phenylmethoxycarbonylamino-butanoate,
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| Complexity | 504 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 2 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 399.205g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 29 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 399.487g/mol |
| Monoisotopic Mass | 399.205g/mol |
| Rotatable Bond Count | 11 |
| Topological Polar Surface Area | 73.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.2 |
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Certificate of Analysis
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