| CAS Number | 198546-38-2 |
| Catalog Number | AG00APP9(AGN-PC-093EQC) |
| Chemical Name | FMOC-2,3-DEHYDRO-VAL-OH |
| IUPAC Name | 2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-methylbut-2-enoic acid |
| InChI | InChI=1S/C20H19NO4/c1-12(2)18(19(22)23)21-20(24)25-11-17-15-9-5-3-7-13(15)14-8-4-6-10-16(14)17/h3-10,17H,11H2,1-2H3,(H,21,24)(H,22,23) |
| InChI Key | IYVIIHAWJFLOAR-UHFFFAOYSA-N |
| MDL Number | MFCD00235842 |
| Molecular Formula | C20H19NO4 |
| Molecular Weight | 337.3692 |
| SMILES | CC(C)=C(NC(=O)OCC1c2ccccc2-c2ccccc12)C(O)=O |
| Synonyms | Fmoc-2,3-dehydroval-OH,
198546-38-2,
Fmoc-2,3-dehydro-Valine,
SCHEMBL14123125,
FMOC-2,3-DEHYDRO-VAL-OH,
ZINC2559990,
6757AH,
MFCD00235842,
AKOS030212466,
N-alpha-(9-Fluorenylmethyloxycarbonyl)-2,3-dehydro-valine,
C20H19NO4,
|
| Complexity | 530 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 337.131g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 25 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 337.375g/mol |
| Monoisotopic Mass | 337.131g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 75.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.1 |
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Certificate of Analysis
Lot Number