Determine the necessary mass, volume, or concentration for preparing a solution.
for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Room temperature Ships Check lot-specific COA for exact specifications.
SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Canonical Smiles | CC1=C(SC=N1)C2=CC=C(C=C2)CNC(=O)C3CC(CN3C(=O)C(C(C)(C)C)NC(=O)CCCCCCCCN)O |
|---|---|
| IUPAC Name | (2S,4R)-1-[(2S)-2-(9-aminononanoylamino)-3,3-dimethylbutanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide |
| InChIKey | QLJZVMJBYNFUSG-CERRFVOPSA-N |
| INCHI | 1S/C31H47N5O4S/c1-21-27(41-20-34-21)23-14-12-22(13-15-23)18-33-29(39)25-17-24(37)19-36(25)30(40)28(31(2,3)4)35-26(38)11-9-7-5-6-8-10-16-32/h12-15,20,24-25,28,37H,5-11,16-19,32H2,1-4H3,(H,33,39)(H,35,38)/t24-,25+,28-/m1/s1 |
| PubChem CID | 138991798 |
| Molecular Weight | 585.80 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA →Full quality attributes and acceptance criteria for this grade.
View spec sheet →| Molecular Weight | 585.800 g/mol |
|---|---|
| XLogP3 | 4.000 |
| Hydrogen Bond Donor Count | 4 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 15 |
| Exact Mass | 585.335 Da |
| Monoisotopic Mass | 585.335 Da |
| Topological Polar Surface Area | 166.000 Ų |
| Heavy Atom Count | 41 |
| Formal Charge | 0 |
| Complexity | 845.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 3 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |