| CAS Number | 73995-16-1 |
| Catalog Number | AG005UW1(AGN-PC-0U4948) |
| Chemical Name | (R)-Benzyl 2-amino-3-(benzylthio)propanoate 4-methylbenzenesulfonate |
| IUPAC Name | benzyl (2R)-2-amino-3-benzylsulfanylpropanoate;4-methylbenzenesulfonic acid |
| InChI | InChI=1S/C17H19NO2S.C7H8O3S/c18-16(13-21-12-15-9-5-2-6-10-15)17(19)20-11-14-7-3-1-4-8-14;1-6-2-4-7(5-3-6)11(8,9)10/h1-10,16H,11-13,18H2;2-5H,1H3,(H,8,9,10)/t16-;/m0./s1 |
| InChI Key | PAOXTFAXWXQKPW-NTISSMGPSA-N |
| MDL Number | MFCD00038984 |
| Molecular Formula | C24H27NO5S2 |
| Molecular Weight | 473.6049 |
| SMILES | CC1=CC=C(C=C1)S(O)(=O)=O.N[C@@H](CSCC1=CC=CC=C1)C(=O)OCC1=CC=CC=C1 |
| Synonyms | H-CYS(BZL)-OBZL P-TOSYLATE,
73995-16-1,
C17H19NO2S.C7H8O3S,
7084AH,
KM1584,
MFCD00038984,
CYSTEINE(BZL)-OBZL P-TOSYLATE,
AS-49044,
CYSTEINE -OBZLP-TOSYLATE,
benzyl S-benzylcysteinate 4-methylbenzenesulfonate (1:1),
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| Complexity | 506 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 473.133g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 32 |
| Hydrogen Bond Acceptor Count | 7 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 473.602g/mol |
| Monoisotopic Mass | 473.133g/mol |
| Rotatable Bond Count | 9 |
| Topological Polar Surface Area | 140A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number