| CAS Number | 4668-37-5 |
| Catalog Number | AG00DGVV(AGN-PC-0WBO5F) |
| Chemical Name | Z-Asn-Ome |
| IUPAC Name | methyl (2S)-4-amino-4-oxo-2-(phenylmethoxycarbonylamino)butanoate |
| InChI | InChI=1S/C13H16N2O5/c1-19-12(17)10(7-11(14)16)15-13(18)20-8-9-5-3-2-4-6-9/h2-6,10H,7-8H2,1H3,(H2,14,16)(H,15,18)/t10-/m0/s1 |
| InChI Key | CQIPRSHYISKHFR-JTQLQIEISA-N |
| MDL Number | MFCD02094371 |
| Molecular Formula | C13H16N2O5 |
| Molecular Weight | 280.2765 |
| SMILES | COC(=O)[C@H](CC(N)=O)NC(=O)OCC1=CC=CC=C1 |
| Synonyms | Z-ASN-OME,
4668-37-5,
Z-L-asparagine methyl ester,
Methyl N~2~-[(benzyloxy)carbonyl]-L-asparaginate,
SCHEMBL5181237,
CTK8G3854,
DTXSID90426639,
ZINC2389668,
7857AH,
MFCD02094371,
AKOS027251026,
AS-48991,
K-9093,
C13H16N2O5,
ZINC02389668,
CID7010358,
|
| Complexity | 353 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 280.106g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 280.28g/mol |
| Monoisotopic Mass | 280.106g/mol |
| Rotatable Bond Count | 8 |
| Topological Polar Surface Area | 108A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.2 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number