| CAS Number | 507276-74-6 |
| Catalog Number | AG00DI02(AGN-PC-0OBE66) |
| Chemical Name | Boc-D-Tyr(tBu)-OH |
| IUPAC Name | (2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]propanoic acid |
| InChI | InChI=1S/C18H27NO5/c1-17(2,3)23-13-9-7-12(8-10-13)11-14(15(20)21)19-16(22)24-18(4,5)6/h7-10,14H,11H2,1-6H3,(H,19,22)(H,20,21)/t14-/m1/s1 |
| InChI Key | ZEQLLMOXFVKKCN-CQSZACIVSA-N |
| MDL Number | MFCD01861337 |
| Molecular Formula | C18H27NO5 |
| Molecular Weight | 337.4107 |
| SMILES | O=C(O)[C@H](NC(OC(C)(C)C)=O)CC1=CC=C(OC(C)(C)C)C=C1 |
| Synonyms | Boc-D-Tyr(tBu)-OH,
507276-74-6,
SCHEMBL5065823,
ZEQLLMOXFVKKCN-CQSZACIVSA-N,
ZINC2386086,
AKOS015889998,
CB-1707,
ACM507276746,
AT-27264,
FT-0772714,
N-alpha-t-Butoxycarbonyl-O-t-butyl-D-tyrosine,
N-(tert-Butoxycarbonyl)-O-tert-butyl-D-tyrosine,
O-(1,1-Dimethylethyl)-N-{[(1,1-dimethylethyl)oxy]carbonyl}-D-tyrosine,
Boc-O-tert-butyl-D-tyrosine,
(R)-2-(tert-butoxycarbonylamino)-3-(4-tert-butoxyphenyl)propanoic acid,
|
| Complexity | 428 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 337.189g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 24 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 337.416g/mol |
| Monoisotopic Mass | 337.189g/mol |
| Rotatable Bond Count | 8 |
| Topological Polar Surface Area | 84.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.8 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number