| CAS Number | 218938-62-6 |
| Catalog Number | AG00C4MB(AGN-PC-0O7WUF) |
| Chemical Name | H-Tyr(tbu)-allyl ester hcl |
| IUPAC Name | prop-2-enyl (2S)-2-amino-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]propanoate;hydrochloride |
| InChI | InChI=1S/C16H23NO3.ClH/c1-5-10-19-15(18)14(17)11-12-6-8-13(9-7-12)20-16(2,3)4;/h5-9,14H,1,10-11,17H2,2-4H3;1H/t14-;/m0./s1 |
| InChI Key | XUFOSDWVNYYLBH-UQKRIMTDSA-N |
| MDL Number | MFCD00798675 |
| Molecular Formula | C16H24ClNO3 |
| Molecular Weight | 313.8197 |
| SMILES | C=CCOC(=O)C(Cc1ccc(cc1)OC(C)(C)C)N.Cl |
| Synonyms | H-TYR(TBU)-ALLYL ESTER HCL,
218938-62-6,
H-Tyr(tBu)-OAll HCl,
MFCD00798675,
H-Tyr(tBu)-allyl ester hydrochloride,
ACM218938626,
Z5762,
K-6204,
L-Tyrosine,o-(1,1-dimethylethyl)-,2-propenyl ester,hydrochloride(9ci),
C16H23NO3.HCl,
H-Tyr(tBu)-allyl ester . HCl,
|
| Complexity | 314 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 313.144g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 21 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 313.822g/mol |
| Monoisotopic Mass | 313.144g/mol |
| Rotatable Bond Count | 8 |
| Topological Polar Surface Area | 61.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number