| CAS Number | 288591-93-5 |
| Catalog Number | AG01EOH0(AGN-PC-0R4LFH) |
| Chemical Name | Leu-AMS |
| IUPAC Name | [5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl N-(2-amino-4-methylpentanoyl)sulfamate |
| InChI | InChI=1S/C16H25N7O7S/c1-7(2)3-8(17)15(26)22-31(27,28)29-4-9-11(24)12(25)16(30-9)23-6-21-10-13(18)19-5-20-14(10)23/h5-9,11-12,16,24-25H,3-4,17H2,1-2H3,(H,22,26)(H2,18,19,20) |
| InChI Key | XFEDFDTWJLGMBO-UHFFFAOYSA-N |
| MDL Number | MFCD31619266 |
| Molecular Formula | C16H25N7O7S |
| Molecular Weight | 459.4774 |
| SMILES | C(OS(NC(=O)[C@@H](N)CC(C)C)(=O)=O)[C@H]1O[C@@H](N2C3=C(C(=NC=N3)N)N=C2)[C@H](O)[C@@H]1O |
| Synonyms | |
| Complexity | 736 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 459.154g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 31 |
| Hydrogen Bond Acceptor Count | 12 |
| Hydrogen Bond Donor Count | 5 |
| Isotope Atom Count | 0 |
| Molecular Weight | 459.478g/mol |
| Monoisotopic Mass | 459.154g/mol |
| Rotatable Bond Count | 8 |
| Topological Polar Surface Area | 226A^2 |
| Undefined Atom Stereocenter Count | 5 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number