| CAS Number | 1423037-51-7 |
| Catalog Number | AG00HWH2(AGN-PC-0WQZTV) |
| Chemical Name | N-Propyl L-Z-isoleucinamide |
| IUPAC Name | benzyl N-[3-methyl-1-oxo-1-(propylamino)pentan-2-yl]carbamate |
| InChI | InChI=1S/C17H26N2O3/c1-4-11-18-16(20)15(13(3)5-2)19-17(21)22-12-14-9-7-6-8-10-14/h6-10,13,15H,4-5,11-12H2,1-3H3,(H,18,20)(H,19,21) |
| InChI Key | LZYZIYPOFBSJPM-UHFFFAOYSA-N |
| MDL Number | MFCD23135919 |
| Molecular Formula | C17H26N2O3 |
| Molecular Weight | 306.3999 |
| SMILES | CCC(C(C(=O)NCCC)NC(=O)OCc1ccccc1)C |
| Synonyms | N-Propyl L-Z-isoleucinamide,
1423037-51-7,
|
| Complexity | 341 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 306.194g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 22 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 306.406g/mol |
| Monoisotopic Mass | 306.194g/mol |
| Rotatable Bond Count | 9 |
| Topological Polar Surface Area | 67.4A^2 |
| Undefined Atom Stereocenter Count | 2 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.4 |
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Certificate of Analysis
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