| CAS Number | 1133325-57-1 |
| Catalog Number | AG019EKG(AGN-PC-0WG47Y) |
| Chemical Name | tert-Butyl 7-oxo-6-((S)-1-phenylethyl)-2,6-diazabicyclo[3.2.0]heptane-2-carboxylate |
| IUPAC Name | tert-butyl 7-oxo-6-[(1S)-1-phenylethyl]-2,6-diazabicyclo[3.2.0]heptane-2-carboxylate |
| InChI | InChI=1S/C18H24N2O3/c1-12(13-8-6-5-7-9-13)20-14-10-11-19(15(14)16(20)21)17(22)23-18(2,3)4/h5-9,12,14-15H,10-11H2,1-4H3/t12-,14?,15?/m0/s1 |
| InChI Key | IYQAAZHLBBJUNB-GRTSSRMGSA-N |
| MDL Number | MFCD29917035 |
| Molecular Formula | C18H24N2O3 |
| Molecular Weight | 316.3948 |
| SMILES | C[C@H](N1C2CCN(C2C1=O)C(=O)OC(C)(C)C)c1ccccc1 |
| Synonyms | 1133325-57-1,
TERT-BUTYL 6-OXO-7-[(1S)-1-PHENYLETHYL]-4,7-DIAZABICYCLO[3.2.0]HEPTANE-4-CARBOXYLATE,
MFCD29917035,
AKOS027255976,
TZ000727,
CS-0036756,
t-Butyl 6-oxo-7-[(1S)-1-phenylethyl]-4,7-diazabicyclo[3.2.0]heptane-4-carboxylate,
Tert-Butyl 6-Oxo-7-[(1S)-1-Phenylethyl]-4,7-Diazabicyclo[3.2.0]Heptane-4-Carboxylate(WXC02925),
tert-Butyl 7-oxo-6-((S)-1-phenylethyl)-2,6-diazabicyclo[3.2.0]heptane-2-carboxylate,
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| Complexity | 479 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 316.179g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 23 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 316.401g/mol |
| Monoisotopic Mass | 316.179g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 49.8A^2 |
| Undefined Atom Stereocenter Count | 2 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.5 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number