| CAS Number | 70232-19-8 |
| Catalog Number | AG00IC14(AGN-PC-0TXVJC) |
| Chemical Name | L-Asparagine, N2-[(1,1-dimethylethoxy)carbonyl]-N,N-dimethyl- |
| IUPAC Name | (2S)-4-(dimethylamino)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxobutanoic acid |
| InChI | InChI=1S/C11H20N2O5/c1-11(2,3)18-10(17)12-7(9(15)16)6-8(14)13(4)5/h7H,6H2,1-5H3,(H,12,17)(H,15,16)/t7-/m0/s1 |
| InChI Key | WNVCRAUZUATQRQ-ZETCQYMHSA-N |
| MDL Number | MFCD29920879 |
| Molecular Formula | C11H20N2O5 |
| Molecular Weight | 260.2869 |
| SMILES | C(C)(C)(C)OC(=O)N[C@H](C(=O)O)CC(=O)N(C)C |
| Synonyms | 70232-19-8,
(S)-2-((tert-Butoxycarbonyl)amino)-4-(dimethylamino)-4-oxobutanoic acid,
SCHEMBL7905580,
MFCD29920879,
ZINC38328241,
AKOS027335638,
CS-W000727,
AS-48512,
N2-(tert-Butoxycarbonyl)-N4,N4-dimethyl-L-asparagine,
L-Asparagine, N2-[(1,1-dimethylethoxy)carbonyl]-N,N-dimethyl-,
(S)-2-((t-Butoxycarbonyl)amino)-4-(dimethylamino)-4-oxobutanoic acid,
CID11173001,
(2S)-3-(dimethylcarbamoyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic Acid,
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| Complexity | 333 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 260.137g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 260.29g/mol |
| Monoisotopic Mass | 260.137g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 95.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0 |
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Certificate of Analysis
Lot Number