| CAS Number | 845909-53-7 |
| Catalog Number | AG00G4ES(AGN-PC-0USMS9) |
| Chemical Name | Z-L-Dbu-Ome HCl |
| IUPAC Name | methyl (3R)-4-amino-3-(phenylmethoxycarbonylamino)butanoate;hydrochloride |
| InChI | InChI=1S/C13H18N2O4.ClH/c1-18-12(16)7-11(8-14)15-13(17)19-9-10-5-3-2-4-6-10;/h2-6,11H,7-9,14H2,1H3,(H,15,17);1H/t11-;/m1./s1 |
| InChI Key | ZSIOGFXVTYUMCY-RFVHGSKJSA-N |
| MDL Number | MFCD03788649 |
| Molecular Formula | C13H19ClN2O4 |
| Molecular Weight | 302.7540 |
| SMILES | Cl.COC(C[C@@H](NC(OCC1=CC=CC=C1)=O)CN)=O |
| Synonyms | Z-Dbu-OMe.HCl (R),
845909-53-7,
Z-L-Dbu-Ome HCl,
(R)-Methyl 4-amino-3-(((benzyloxy)carbonyl)amino)butanoate hydrochloride,
C13H18N2O4.HCl,
SCHEMBL16443632,
1423018-00-1,
7930AH,
MFCD03788648,
AKOS030525746,
A-8228,
(R)-4-Amino-3-(Z-amino)butyl methyl ester hydrochloride,
N-beta-Benzyloxycarbonyl-L-3,4-diaminobutyric acid methyl ester hydrochloride,
N-beta-Benzyloxycarbonyl-D-3,4-diaminobutyric acid methyl ester hydrochloride (Z-D-Dbu-OMe HCl),
|
| Complexity | 290 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 302.103g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 302.755g/mol |
| Monoisotopic Mass | 302.103g/mol |
| Rotatable Bond Count | 8 |
| Topological Polar Surface Area | 90.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number