| CAS Number | 129672-10-2 |
| Catalog Number | AG009C2E(AGN-PC-0WBO6F) |
| Chemical Name | boc-his(3-bom)-osu |
| IUPAC Name | (2,5-dioxopyrrolidin-1-yl) (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-[3-(phenylmethoxymethyl)imidazol-4-yl]propanoate |
| InChI | InChI=1S/C23H28N4O7/c1-23(2,3)33-22(31)25-18(21(30)34-27-19(28)9-10-20(27)29)11-17-12-24-14-26(17)15-32-13-16-7-5-4-6-8-16/h4-8,12,14,18H,9-11,13,15H2,1-3H3,(H,25,31)/t18-/m0/s1 |
| InChI Key | SDAXRIAORZYYCK-SFHVURJKSA-N |
| MDL Number | MFCD00236853 |
| Molecular Formula | C23H28N4O7 |
| Molecular Weight | 472.4910 |
| SMILES | CC(C)(C)OC(=O)N[C@@H](CC1=CN=CN1COCC1=CC=CC=C1)C(=O)ON1C(=O)CCC1=O |
| Synonyms | Boc-His(3-Bom)-Osu,
129672-10-2,
Boc-His(-Bom)-OSu,
Boc-His(pi-Bom)-OSu,
6366AH,
MFCD00236853,
ZINC71788028,
AS-49157,
C23H28N4O7,
|
| Complexity | 732 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 472.196g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 34 |
| Hydrogen Bond Acceptor Count | 8 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 472.498g/mol |
| Monoisotopic Mass | 472.196g/mol |
| Rotatable Bond Count | 12 |
| Topological Polar Surface Area | 129A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number