![N-({1-[(4-fluorophenyl)sulfonyl]piperidin-3-yl}carbonyl)-L-valine - ≥97% , CAS No.956970-52-8](https://www.aladdinsci.com/media/catalog/product/placeholder/default/default_4.jpg)
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N-({1-[(4-fluorophenyl)sulfonyl]piperidin-3-yl}carbonyl)-L-valine - ≥97% , CAS No.956970-52-8
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GRADE & PURITY ≥97%
Storage
Room temperature
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Why this grade
≥97% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Storage & shipping
Room temperature Ships Check lot-specific COA for exact specifications.
Quality documents
SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
Literature proof
Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
Specifications
Specifications & Purity
≥97%
Storage
Room temperature
Purity
≥97%
Names and Identifiers
| Canonical Smiles | CC(C)C(C(=O)O)NC(=O)C1CCCN(C1)S(=O)(=O)C2=CC=C(C=C2)F |
|---|---|
| IUPAC Name | (2S)-2-[[1-(4-fluorophenyl)sulfonylpiperidine-3-carbonyl]amino]-3-methylbutanoic acid |
| InChIKey | NVRXRJHRMXPAGC-CVRLYYSRSA-N |
| INCHI | 1S/C17H23FN2O5S/c1-11(2)15(17(22)23)19-16(21)12-4-3-9-20(10-12)26(24,25)14-7-5-13(18)6-8-14/h5-8,11-12,15H,3-4,9-10H2,1-2H3,(H,19,21)(H,22,23)/t12?,15-/m0/s1 |
| Isomeric SMILES | CC(C)[C@@H](C(=O)O)NC(=O)C1CCCN(C1)S(=O)(=O)C2=CC=C(C=C2)F |
| PubChem CID | 16394763 |
Documentation
📋 Safety Data Sheet (SDS)
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →✅ Certificate of Analysis (COA)
Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA →🔬 Specification Sheet
Full quality attributes and acceptance criteria for this grade.
View spec sheet →Advanced Data
3D Structure
Interactive Chemical Structure Model
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Chemical and Physical Properties
| Molecular Weight | 386.400 g/mol |
|---|---|
| XLogP3 | 1.900 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 6 |
| Exact Mass | 386.131 Da |
| Monoisotopic Mass | 386.131 Da |
| Topological Polar Surface Area | 112.000 Ų |
| Heavy Atom Count | 26 |
| Formal Charge | 0 |
| Complexity | 611.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 1 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
Solution Calculators
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