| CAS Number | 20998-83-8 |
| Catalog Number | AG00BIG2(AGN-PC-0QX0I1) |
| Chemical Name | N-Benzyl L-Z-Valinamide |
| IUPAC Name | benzyl N-[(2S)-1-(benzylamino)-3-methyl-1-oxobutan-2-yl]carbamate |
| InChI | InChI=1S/C20H24N2O3/c1-15(2)18(19(23)21-13-16-9-5-3-6-10-16)22-20(24)25-14-17-11-7-4-8-12-17/h3-12,15,18H,13-14H2,1-2H3,(H,21,23)(H,22,24)/t18-/m0/s1 |
| InChI Key | LIIPFWIZLJOOAS-SFHVURJKSA-N |
| MDL Number | MFCD08483726 |
| Molecular Formula | C20H24N2O3 |
| Molecular Weight | 340.4162 |
| SMILES | O=C(NC(C(=O)NCc1ccccc1)C(C)C)OCc1ccccc1 |
| Synonyms | N-Benzyl L-Z-Valinamide,
20998-83-8,
AC1M5ZRG,
MLS000391495,
CHEMBL2142155,
SCHEMBL11672300,
LIIPFWIZLJOOAS-SFHVURJKSA-N,
ZINC3246458,
benzyloxycarbonyl-L-valine benzylamide,
AKOS022184969,
benzyloxycarbonyl-L-valine benzyl-amide,
MCULE-5941373916,
AJ-44801,
SMR000260530,
K-6057,
N-BENZYLOXYCARBONYL-L-VALINE BENZYLAMIDE,
Z56845187,
benzyl N-[(1S)-1-(benzylcarbamoyl)-2-methylpropyl]carbamate,
benzyl N-[(2S)-1-(benzylamino)-3-methyl-1-oxobutan-2-yl]carbamate,
ZINC03246461,
CID2363706,
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| Complexity | 413 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 340.179g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 25 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 340.423g/mol |
| Monoisotopic Mass | 340.179g/mol |
| Rotatable Bond Count | 8 |
| Topological Polar Surface Area | 67.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.6 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
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