| CAS Number | 126829-54-7 |
| Catalog Number | AG009GR5(AGN-PC-0PIEAA) |
| Chemical Name | 3-(2-Naphthyl)-L-alanine benzyl ester 4-toluenesulfonate salt |
| IUPAC Name | benzyl (2S)-2-amino-3-naphthalen-2-ylpropanoate;4-methylbenzenesulfonic acid |
| InChI | InChI=1S/C20H19NO2.C7H8O3S/c21-19(20(22)23-14-15-6-2-1-3-7-15)13-16-10-11-17-8-4-5-9-18(17)12-16;1-6-2-4-7(5-3-6)11(8,9)10/h1-12,19H,13-14,21H2;2-5H,1H3,(H,8,9,10)/t19-;/m0./s1 |
| InChI Key | CGOGTYJIKGFYPP-FYZYNONXSA-N |
| MDL Number | MFCD02259526 |
| Molecular Formula | C27H27NO5S |
| Molecular Weight | 477.5720 |
| SMILES | N[C@H](C(=O)OCc1ccccc1)Cc1ccc2c(c1)cccc2.Cc1ccc(cc1)S(=O)(=O)O |
| Synonyms | 126829-54-7,
H-2-Nal-OBzl p-tosylate salt,
3-(2-Naphthyl)-L-alanine benzyl ester 4-toluenesulfonate salt,
MFCD02259526,
H-2-Nal-OBzl p-tosylate,
SCHEMBL6898019,
C20H19NO2.C7H8O3S,
5149AH,
AKOS015909513,
I14-32664,
2-Naphthalenepropanoicacid,a-amino-,phenylmethyl ester,(S)-(9ci),
219496-44-3,
CGOGTYJIKGFYPP-FYZYNONXSA-N,
|
| Complexity | 584 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 477.161g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 34 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 477.575g/mol |
| Monoisotopic Mass | 477.161g/mol |
| Rotatable Bond Count | 7 |
| Topological Polar Surface Area | 115A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number