| CAS Number | 946682-32-2 |
| Catalog Number | AG00IIFM(AGN-PC-0WB2VL) |
| Chemical Name | (R,S)-Fmoc-3-(t-butyl)-beta-ala-oh |
| IUPAC Name | 3-(9H-fluoren-9-ylmethoxycarbonylamino)-4,4-dimethylpentanoic acid |
| InChI | InChI=1S/C22H25NO4/c1-22(2,3)19(12-20(24)25)23-21(26)27-13-18-16-10-6-4-8-14(16)15-9-5-7-11-17(15)18/h4-11,18-19H,12-13H2,1-3H3,(H,23,26)(H,24,25) |
| InChI Key | OZJGKTWSHFVPPN-UHFFFAOYSA-N |
| MDL Number | MFCD09264210 |
| Molecular Formula | C22H25NO4 |
| Molecular Weight | 367.4382 |
| SMILES | CC(C(NC(OCC1C2=C(C=CC=C2)C2=C1C=CC=C2)=O)CC(O)=O)(C)C |
| Synonyms | 946682-32-2,
N-Fmoc-(+/-)-3-amino-4,4-dimethylpentanoic acid,
(R,S)-Fmoc-3-(t-butyl)-beta-Ala-OH,
3-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}-4,4-dimethylpentanoic acid,
(R,S)-Fmoc-3-amino-3-(tert-butyl)propionic acid,
3-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-4,4-dimethylpentanoic acid,
3-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)-4,4-dimethylpentanoic acid,
KS-00002BP1,
4384AH,
MFCD09264210,
AKOS017553546,
TS-7148,
A-7791,
C22H25NO4,
|
| Complexity | 519 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 367.178g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 27 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 367.445g/mol |
| Monoisotopic Mass | 367.178g/mol |
| Rotatable Bond Count | 7 |
| Topological Polar Surface Area | 75.6A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number