| CAS Number | 68005-71-0 |
| Catalog Number | AG00FDWB(AGN-PC-0OGF6I) |
| Chemical Name | Tos-D-Val-OH |
| IUPAC Name | (2R)-3-methyl-2-[(4-methylphenyl)sulfonylamino]butanoic acid |
| InChI | InChI=1S/C12H17NO4S/c1-8(2)11(12(14)15)13-18(16,17)10-6-4-9(3)5-7-10/h4-8,11,13H,1-3H3,(H,14,15)/t11-/m1/s1 |
| InChI Key | ZYFUNXTYNIYYJI-LLVKDONJSA-N |
| MDL Number | MFCD04039692 |
| Molecular Formula | C12H17NO4S |
| Molecular Weight | 271.3327 |
| SMILES | CC(C)[C@@H](NS(=O)(C1=CC=C(C)C=C1)=O)C(O)=O |
| Synonyms | 68005-71-0,
Tos-D-Val-OH,
Tosyl-D-valine,
D-Valine, N-[(4-methylphenyl)sulfonyl]-,
N-Tosyl-D-valine,
AC1LE9OM,
SCHEMBL4588942,
CTK1J2665,
ZINC97640,
ZYFUNXTYNIYYJI-LLVKDONJSA-N,
AKOS017539629,
FT-0675341,
(2R)-3-methyl-2-[(4-methylphenyl)sulfonylamino]butanoic acid,
NSC33495,
CID708671,
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| Complexity | 377 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 271.088g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 271.331g/mol |
| Monoisotopic Mass | 271.088g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 91.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.2 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number