| CAS Number | 137255-40-4 |
| Catalog Number | AG00130H(AGN-PC-0PLBZ8) |
| Chemical Name | L-Asparagine, N-[2-(acetylamino)-2-deoxy-β-D-glucopyranosyl]-N2-[(1,1-dimethylethoxy)carbonyl]- |
| IUPAC Name | (2S)-4-[[(2R,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]amino]-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxobutanoic acid |
| InChI | InChI=1S/C17H29N3O10/c1-7(22)18-11-13(25)12(24)9(6-21)29-14(11)20-10(23)5-8(15(26)27)19-16(28)30-17(2,3)4/h8-9,11-14,21,24-25H,5-6H2,1-4H3,(H,18,22)(H,19,28)(H,20,23)(H,26,27)/t8-,9+,11+,12+,13+,14+/m0/s1 |
| InChI Key | YVKMLCHQJOPFTE-WBXKCMFOSA-N |
| MDL Number | MFCD06797037 |
| Molecular Formula | C17H29N3O10 |
| Molecular Weight | 435.4263 |
| SMILES | CC(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]1N([C@@H](CC(N)=O)C(O)=O)C(=O)OC(C)(C)C |
| Synonyms | 137255-40-4,
Nomega-(2-Acetamido-2-deoxy-beta-D-glucopyranosyl)-Nalpha-(tert-butoxycarbonyl)-L-asparagine,
N-omega-(2-acetamido-2-deoxy-b-D-glucopyranosyl)-N-a-Boc-L-asparagine,
Nomega-(2-Acetamido-2-deoxy-beta-D-glucopyranosyl)-Nalpha-Boc-L-asparagine,
SCHEMBL17287138,
DTXSID20451515,
ZINC44075719,
W-201157,
YVKMLCHQJOPFTE-WBXKCMFOSA-N,
4-Ethyl-5-fluoro-6-hydroxypyrimidine,
CID11004598,
CID 11004598,
A1614,
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| Complexity | 650 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 6 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 435.185g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 30 |
| Hydrogen Bond Acceptor Count | 10 |
| Hydrogen Bond Donor Count | 7 |
| Isotope Atom Count | 0 |
| Molecular Weight | 435.43g/mol |
| Monoisotopic Mass | 435.185g/mol |
| Rotatable Bond Count | 9 |
| Topological Polar Surface Area | 204A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -2.3 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
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