| CAS Number | 83468-80-8 |
| Catalog Number | AG00G64C(AGN-PC-0UOKT9) |
| Chemical Name | Boc-His(3-Bom)-OMe HCl |
| IUPAC Name | methyl (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-[3-(phenylmethoxymethyl)imidazol-4-yl]propanoate;hydrochloride |
| InChI | InChI=1S/C20H27N3O5.ClH/c1-20(2,3)28-19(25)22-17(18(24)26-4)10-16-11-21-13-23(16)14-27-12-15-8-6-5-7-9-15;/h5-9,11,13,17H,10,12,14H2,1-4H3,(H,22,25);1H/t17-;/m0./s1 |
| InChI Key | VCAVJWDPSFJAGP-LMOVPXPDSA-N |
| MDL Number | MFCD00076941 |
| Molecular Formula | C20H28ClN3O5 |
| Molecular Weight | 425.9064 |
| SMILES | Cl.COC(=O)[C@H](CC1=CN=CN1COCC1=CC=CC=C1)NC(=O)OC(C)(C)C |
| Synonyms | BOC-HIS(3-BOM)-OME HCL,
83468-80-8,
Boc-His(-Bom)-OMe HCl,
Boc-His(3-Bom)-OMe.HCl,
Boc-His(Bom)-Ome HCl,
C20H27N3O5.HCl,
Boc-His(Bom)-Ome hydrochloride,
6365AH,
KM2167,
MFCD00076941,
AS-49186,
FT-0770914,
C-54800,
(S)-methyl 3-(1-(benzyloxymethyl)-1H-imidazol-5-yl)-2-(tert-butoxycarbonylamino)propanoate hydrochloride,
L-Histidine,N-[(1,1-dimethylethoxy)carbonyl]-3-[(phenylmethoxy)methyl]-,methyl ester,monohydrochloride(9ci),
Boc-His(3-Bom)-OMe . HCl,
|
| Complexity | 503 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 425.172g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 29 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 425.91g/mol |
| Monoisotopic Mass | 425.172g/mol |
| Rotatable Bond Count | 11 |
| Topological Polar Surface Area | 91.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number