| CAS Number | 96192-93-7 |
| Catalog Number | AG00IJSC(AGN-PC-0W5U5I) |
| Chemical Name | Z-D-Dap-ome hcl |
| IUPAC Name | methyl (2R)-3-amino-2-(phenylmethoxycarbonylamino)propanoate;hydrochloride |
| InChI | InChI=1S/C12H16N2O4.ClH/c1-17-11(15)10(7-13)14-12(16)18-8-9-5-3-2-4-6-9;/h2-6,10H,7-8,13H2,1H3,(H,14,16);1H/t10-;/m1./s1 |
| InChI Key | OLOFLUKZNNTGBC-HNCPQSOCSA-N |
| MDL Number | MFCD21363346 |
| Molecular Formula | C12H17ClN2O4 |
| Molecular Weight | 288.7274 |
| SMILES | Cl.COC(=O)[C@@H](CN)NC(OCC1=CC=CC=C1)=O |
| Synonyms | Z-D-Dap-OMe.HCl,
96192-93-7,
(R)-Methyl 3-amino-2-(((benzyloxy)carbonyl)amino)propanoate hydrochloride,
Z-D-Dap-ome hcl,
SCHEMBL3603219,
OLOFLUKZNNTGBC-HNCPQSOCSA-N,
MFCD21363346,
AKOS030525739,
3-Amino-N-Cbz-D-alanine methyl ester HCl,
Na-Z-D-2,3-diaminopropionic acid methyl ester hydrochloride,
2(R) -benzyloxycarbonylamino-beta-alanine methyl ester hydrochloride,
2(R)-benzyloxycarbonylamino-beta-alanine methyl ester hydrochloride,
3-amino-n-[(benzyloxy)carbonyl]-d-alanine methyl ester hydrochloride,
(R)-methyl 3-amino-2-(benzyloxycarbonylamino)propanoate hydrochloride,
N-alpha-Benzyloxycarbonyl-D-2,3-diaminopropionic acid methyl ester hydrochloride,
126330-92-5,
|
| Complexity | 277 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 288.088g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 288.728g/mol |
| Monoisotopic Mass | 288.088g/mol |
| Rotatable Bond Count | 7 |
| 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