| CAS Number | 219323-42-9 |
| Catalog Number | AG007ORP(AGN-PC-0WAEHS) |
| Chemical Name | N-Butyl L-Z-Valinamide |
| IUPAC Name | benzyl N-[(2S)-1-(butylamino)-3-methyl-1-oxobutan-2-yl]carbamate |
| InChI | InChI=1S/C17H26N2O3/c1-4-5-11-18-16(20)15(13(2)3)19-17(21)22-12-14-9-7-6-8-10-14/h6-10,13,15H,4-5,11-12H2,1-3H3,(H,18,20)(H,19,21)/t15-/m0/s1 |
| InChI Key | RGDZVQZKGGWHTE-HNNXBMFYSA-N |
| MDL Number | MFCD22383739 |
| Molecular Formula | C17H26N2O3 |
| Molecular Weight | 306.3999 |
| SMILES | CCCCNC(=O)[C@H](C(C)C)NC(=O)OCc1ccccc1 |
| Synonyms | 219323-42-9,
(S)-Benzyl (1-(butylamino)-3-methyl-1-oxobutan-2-yl)carbamate,
CTK8C5249,
DTXSID00743965,
ANW-74905,
ZINC80294836,
AJ-123836,
AX8243463,
TC-163650,
B-7928,
Benzyl [(2S)-1-(butylamino)-3-methyl-1-oxobutan-2-yl]carbamate,
N-Butyl L-Z-Valinamide,
(S)-Benzyl(1-(butylamino)-3-methyl-1-oxobutan-2-yl)carbamate,
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| Complexity | 339 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 306.194g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 22 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 306.406g/mol |
| Monoisotopic Mass | 306.194g/mol |
| Rotatable Bond Count | 9 |
| Topological Polar Surface Area | 67.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.4 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number