| CAS Number | 218962-76-6 |
| Catalog Number | AG00C4N8(AGN-PC-0QYEK5) |
| Chemical Name | Benzyl (R)-2-aminopentanoate 4-methylbenzenesulfonate |
| IUPAC Name | benzyl (2R)-2-aminopentanoate;4-methylbenzenesulfonic acid |
| InChI | InChI=1S/C12H17NO2.C7H8O3S/c1-2-6-11(13)12(14)15-9-10-7-4-3-5-8-10;1-6-2-4-7(5-3-6)11(8,9)10/h3-5,7-8,11H,2,6,9,13H2,1H3;2-5H,1H3,(H,8,9,10)/t11-;/m1./s1 |
| InChI Key | AJFDJJVOIOXJFJ-RFVHGSKJSA-N |
| MDL Number | MFCD01318877 |
| Molecular Formula | C19H25NO5S |
| Molecular Weight | 379.4705 |
| SMILES | S(=O)(=O)(O)C1=CC=C(C)C=C1.C(OC([C@@H](CCC)N)=O)C1=CC=CC=C1 |
| Synonyms | 218962-76-6,
D-2-AMINOVALERIC ACID-BENZYL ESTER 4-TOLUENESULFONATE SALT,
H-D-Nva-OBzl p-tosylate,
D-2-Aminovaleric acid-benzyl ester p-tosylate,
SCHEMBL3082151,
6576AH,
MFCD01318877,
ACM218962766,
K-6212,
H-D-Nva-OBzl . p-tosylate,
AJFDJJVOIOXJFJ-RFVHGSKJSA-N,
C12H17NO2.C7H8O3S,
|
| Complexity | 394 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 379.145g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 26 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 379.471g/mol |
| Monoisotopic Mass | 379.145g/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