| CAS Number | 222846-98-2 |
| Catalog Number | AG01DW8S |
| Chemical Name | (3S)-3-{[(tert-butoxy)carbonyl]amino}-6-methoxy-6-oxohexanoic acid |
| IUPAC Name | 6-methoxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]-6-oxohexanoic acid |
| InChI | InChI=1S/C12H21NO6/c1-12(2,3)19-11(17)13-8(7-9(14)15)5-6-10(16)18-4/h8H,5-7H2,1-4H3,(H,13,17)(H,14,15) |
| InChI Key | BQRPQYGOOWCDMZ-UHFFFAOYSA-N |
| MDL Number | MFCD29076497 |
| Molecular Formula | C12H21NO6 |
| Molecular Weight | 275.2982 |
| SMILES | O=C(O)C[C@@H](NC(OC(C)(C)C)=O)CCC(OC)=O |
| Synonyms | (3S)-3-{[(tert-butoxy)carbonyl]amino}-6-methoxy-6-oxohexanoic acid,
222846-98-2,
|
| Complexity | 334 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 275.137g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 275.301g/mol |
| Monoisotopic Mass | 275.137g/mol |
| Rotatable Bond Count | 9 |
| Topological Polar Surface Area | 102A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.7 |
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