| CAS Number | 72449-42-4 |
| Catalog Number | AG00IC9O(AGN-PC-0U0L5E) |
| Chemical Name | L-Glutamine, N2-[(1,1-dimethylethoxy)carbonyl]-N,N-dimethyl- |
| IUPAC Name | (2S)-5-(dimethylamino)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxopentanoic acid |
| InChI | InChI=1S/C12H22N2O5/c1-12(2,3)19-11(18)13-8(10(16)17)6-7-9(15)14(4)5/h8H,6-7H2,1-5H3,(H,13,18)(H,16,17)/t8-/m0/s1 |
| InChI Key | MZRAADPAONILMH-QMMMGPOBSA-N |
| MDL Number | MFCD29920880 |
| Molecular Formula | C12H22N2O5 |
| Molecular Weight | 274.3135 |
| SMILES | O=C(OC(C)(C)C)N[C@H](C(=O)O)CCC(=O)N(C)C |
| Synonyms | 72449-42-4,
(S)-2-((tert-Butoxycarbonyl)amino)-5-(dimethylamino)-5-oxopentanoic acid,
SCHEMBL13914082,
MFCD29920880,
AKOS027335639,
ZINC165592188,
CS-W000726,
AS-48513,
N5,N5-Dimethyl-N2-(tert-butoxycarbonyl)glutamine,
L-Glutamine, N2-[(1,1-dimethylethoxy)carbonyl]-N,N-dimethyl-,
N2-[(1,1-Dimethylethoxy)carbonyl]-N,N-dimethyl-L-glutamine,
(S)-2-((t-Butoxycarbonyl)amino)-5-(dimethylamino)-5-oxopentanoic acid,
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| Complexity | 347 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 274.153g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 274.317g/mol |
| Monoisotopic Mass | 274.153g/mol |
| Rotatable Bond Count | 7 |
| Topological Polar Surface Area | 95.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.3 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number