| CAS Number | 1219419-42-7 |
| Catalog Number | AG01DFPW(AGN-PC-001ID2) |
| Chemical Name | N-(N-Boc-DL-Methionyl)-benzyloxyamine |
| IUPAC Name | tert-butyl N-[4-methylsulfanyl-1-oxo-1-(phenylmethoxyamino)butan-2-yl]carbamate |
| InChI | InChI=1S/C17H26N2O4S/c1-17(2,3)23-16(21)18-14(10-11-24-4)15(20)19-22-12-13-8-6-5-7-9-13/h5-9,14H,10-12H2,1-4H3,(H,18,21)(H,19,20) |
| InChI Key | XNDRFJMBZVXYNJ-UHFFFAOYSA-N |
| MDL Number | MFCD11053538 |
| Molecular Formula | C17H26N2O4S |
| Molecular Weight | 354.4643 |
| SMILES | CSCCC(NC(=O)OC(C)(C)C)C(=O)NOCc1ccccc1 |
| Synonyms | N-(N-Boc-DL-Methionyl)-benzyloxyamine,
1219419-42-7,
tert-Butyl (1-((benzyloxy)amino)-4-(methylthio)-1-oxobutan-2-yl)carbamate,
MFCD11053538,
AKOS026670774,
tert-butyl 1-{[(benzyloxy)amino]carbonyl}-3-(methylsulfanyl)propylcarbamate,
tert-butyl N-{1-[(benzyloxy)carbamoyl]-3-(methylsulfanyl)propyl}carbamate,
(1-Benzyloxycarbamoyl-3-methylsulfanyl-propyl)-carbamic acid tert-butyl ester,
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| Complexity | 393 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 354.161g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 24 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 354.465g/mol |
| Monoisotopic Mass | 354.161g/mol |
| Rotatable Bond Count | 10 |
| Topological Polar Surface Area | 102A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.9 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number