| CAS Number | 4124-61-2 |
| Catalog Number | AG00CLU5(AGN-PC-0WAF3B) |
| Chemical Name | t-Butyl N-Cbz-DL-Phenylalaninamide |
| IUPAC Name | benzyl N-[1-(tert-butylamino)-1-oxo-3-phenylpropan-2-yl]carbamate |
| InChI | InChI=1S/C21H26N2O3/c1-21(2,3)23-19(24)18(14-16-10-6-4-7-11-16)22-20(25)26-15-17-12-8-5-9-13-17/h4-13,18H,14-15H2,1-3H3,(H,22,25)(H,23,24) |
| InChI Key | OBTQDPUTTRNHEP-UHFFFAOYSA-N |
| MDL Number | MFCD11850826 |
| Molecular Formula | C21H26N2O3 |
| Molecular Weight | 354.4427 |
| SMILES | O=C(NC(C(=O)NC(C)(C)C)Cc1ccccc1)OCc1ccccc1 |
| Synonyms | T-BUTYL N-CBZ-DL-PHENYLALANINAMIDE,
4124-61-2,
KM3979,
AKOS026673689,
V5847,
BENZYL N-[1-(TERT-BUTYLCARBAMOYL)-2-PHENYLETHYL]CARBAMATE,
C21H26N2O3,
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| Complexity | 447 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 354.194g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 26 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 354.45g/mol |
| Monoisotopic Mass | 354.194g/mol |
| Rotatable Bond Count | 8 |
| Topological Polar Surface Area | 67.4A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.8 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number