| CAS Number | 30845-22-8 |
| Catalog Number | AG00I5SE(AGN-PC-0R6BHD) |
| Chemical Name | methyl (2S)-2-{[(tert-butoxy)carbonyl]amino}-3-[4-(tert-butoxy)phenyl]propanoate |
| IUPAC Name | methyl (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]propanoate |
| InChI | InChI=1S/C19H29NO5/c1-18(2,3)24-14-10-8-13(9-11-14)12-15(16(21)23-7)20-17(22)25-19(4,5)6/h8-11,15H,12H2,1-7H3,(H,20,22)/t15-/m0/s1 |
| InChI Key | QVUHDEMEVAIGOF-HNNXBMFYSA-N |
| MDL Number | MFCD27578220 |
| Molecular Formula | C19H29NO5 |
| Molecular Weight | 351.4373 |
| SMILES | COC(=O)[C@@H](NC(=O)OC(C)(C)C)Cc1ccc(cc1)OC(C)(C)C |
| Synonyms | 30845-22-8,
SCHEMBL13933239,
ZINC34565715,
N-(tert-Butyloxycarbonyl)-O-tert-butyl-L-tyrosine methyl ester,
L-Tyrosine, N-[(1,1-dimethylethoxy)carbonyl]-O-(1,1-dimethylethyl)-,methyl ester,
CID10926190,
CID 10926190,
methyl (2S)-2-{[(tert-butoxy)carbonyl]amino}-3-[4-(tert-butoxy)phenyl]propanoate,
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| Complexity | 442 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 351.205g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 25 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 351.443g/mol |
| Monoisotopic Mass | 351.205g/mol |
| Rotatable Bond Count | 9 |
| Topological Polar Surface Area | 73.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number