| CAS Number | 190274-53-4 |
| Catalog Number | AG002EG5(AGN-PC-0QJM37) |
| Chemical Name | Butanamide, 2-[[(4-fluorophenyl)sulfonyl]amino]-N-[(1S)-1-formyl-3-methylbutyl]-3-methyl-, (2S)- |
| IUPAC Name | 2-[(4-fluorophenyl)sulfonylamino]-3-methyl-N-(4-methyl-1-oxopentan-2-yl)butanamide |
| InChI | InChI=1S/C17H25FN2O4S/c1-11(2)9-14(10-21)19-17(22)16(12(3)4)20-25(23,24)15-7-5-13(18)6-8-15/h5-8,10-12,14,16,20H,9H2,1-4H3,(H,19,22) |
| InChI Key | WSJWUIDLGZAXID-UHFFFAOYSA-N |
| MDL Number | MFCD00954660 |
| Molecular Formula | C17H25FN2O4S |
| Molecular Weight | 372.4548 |
| SMILES | FC1=CC=C(S(N[C@H](C(N[C@@H](CC(C)C)C=O)=O)C(C)C)(=O)=O)C=C1 |
| Synonyms | 190274-53-4,
CTK8F0428,
DTXSID80622709,
IN1503,
4-Fluoro-benzenesulfonyl-Val-Leu-aldehyde,
RT-011902,
N~2~-(4-Fluorobenzene-1-sulfonyl)-N-(4-methyl-1-oxopentan-2-yl)valinamide,
Calpain Inhibitor VI,
WSJWUIDLGZAXID-UHFFFAOYSA-N,
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| Complexity | 537 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 372.152g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 25 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 372.455g/mol |
| Monoisotopic Mass | 372.152g/mol |
| Rotatable Bond Count | 9 |
| Topological Polar Surface Area | 101A^2 |
| Undefined Atom Stereocenter Count | 2 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number