| CAS Number | 1217673-66-9 |
| Catalog Number | AG00HGDU(AGN-PC-0WR0C4) |
| Chemical Name | erythro-N-Boc-L-4-carbamoylphenylalanine epoxide |
| IUPAC Name | tert-butyl N-[(1S)-2-(4-carbamoylphenyl)-1-[(2S)-oxiran-2-yl]ethyl]carbamate |
| InChI | InChI=1S/C16H22N2O4/c1-16(2,3)22-15(20)18-12(13-9-21-13)8-10-4-6-11(7-5-10)14(17)19/h4-7,12-13H,8-9H2,1-3H3,(H2,17,19)(H,18,20)/t12-,13+/m0/s1 |
| InChI Key | VFOGDEUVAKQTJQ-QWHCGFSZSA-N |
| MDL Number | MFCD08061631 |
| Molecular Formula | C16H22N2O4 |
| Molecular Weight | 306.3569 |
| SMILES | CC(C)(C)OC(=O)NC(CC1=CC=C(C=C1)C(=O)N)C2CO2 |
| Synonyms | 1217673-66-9,
erythro-N-Boc-L-4-carbamoylphenylalanine epoxide,
tert-Butyl ((S)-2-(4-carbamoylphenyl)-1-((S)-oxiran-2-yl)ethyl)carbamate,
DTXSID70592361,
6664AH,
KM5345,
MFCD08061631,
ZINC12351568,
AKOS015950225,
tert-Butyl {(1S)-2-(4-carbamoylphenyl)-1-[(2S)-oxiran-2-yl]ethyl}carbamate,
C16H22N2O4,
tert-Butyl((S)-2-(4-carbamoylphenyl)-1-((S)-oxiran-2-yl)ethyl)carbamate,
|
| Complexity | 411 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 2 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 306.158g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 22 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 306.362g/mol |
| Monoisotopic Mass | 306.158g/mol |
| Rotatable Bond Count | 7 |
| Topological Polar Surface Area | 94A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number