| CAS Number | 66009-35-6 |
| Catalog Number | AG00FAZ2(AGN-PC-0TJ18P) |
| Chemical Name | H-Tyr(Bzl)-Obzl P-Tosylate |
| IUPAC Name | benzyl (2S)-2-amino-3-(4-phenylmethoxyphenyl)propanoate;4-methylbenzenesulfonic acid |
| InChI | InChI=1S/C23H23NO3.C7H8O3S/c24-22(23(25)27-17-20-9-5-2-6-10-20)15-18-11-13-21(14-12-18)26-16-19-7-3-1-4-8-19;1-6-2-4-7(5-3-6)11(8,9)10/h1-14,22H,15-17,24H2;2-5H,1H3,(H,8,9,10)/t22-;/m0./s1 |
| InChI Key | CJHPRLKRQQBIRK-FTBISJDPSA-N |
| MDL Number | MFCD00077105 |
| Molecular Formula | C30H31NO6S |
| Molecular Weight | 533.6352 |
| SMILES | N[C@H](C(=O)OCc1ccccc1)Cc1ccc(cc1)OCc1ccccc1.Cc1ccc(cc1)S(=O)(=O)O |
| Synonyms | 66009-35-6,
H-TYR(BZL)-OBZL P-TOSYLATE,
H-Tyr(Bzl)-OBzl.TosOH,
O-Benzyl-L-tyrosine benzyl ester 4-toluenesulfonate salt,
(S)-Benzyl 2-amino-3-(4-(benzyloxy)phenyl)Propanoate 4-methylbenzenesulfonate,
SCHEMBL7302285,
CTK8G2122,
DTXSID40662686,
C23H23NO3.C7H8O3S,
7252AH,
KM0979,
MFCD00077105,
AKOS015924210,
FT-0627621,
C-54878,
4-Methylbenzene-1-sulfonic acid--benzyl O-benzyl-L-tyrosinate (1/1),
L-Tyrosine,o-(phenylmethyl)-,phenylmethyl ester,4-methylbenzenesulfonate(salt)(9ci),
H-Tyr(Bzl)-OBzl.Tos,
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| Complexity | 628 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 533.187g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 38 |
| Hydrogen Bond Acceptor Count | 7 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 533.639g/mol |
| Monoisotopic Mass | 533.187g/mol |
| Rotatable Bond Count | 10 |
| Topological Polar Surface Area | 124A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
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