| CAS Number | 861719-77-9 |
| Catalog Number | AG01BJ9J |
| Chemical Name | (S)-2-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-3-(4-(dimethylamino)phenyl)propanoic acid |
| IUPAC Name | (2S)-3-[4-(dimethylamino)phenyl]-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid |
| InChI | InChI=1S/C26H26N2O4/c1-28(2)18-13-11-17(12-14-18)15-24(25(29)30)27-26(31)32-16-23-21-9-5-3-7-19(21)20-8-4-6-10-22(20)23/h3-14,23-24H,15-16H2,1-2H3,(H,27,31)(H,29,30)/t24-/m0/s1 |
| InChI Key | TWNGBHYOIMBXEN-DEOSSOPVSA-N |
| MDL Number | MFCD30752464 |
| Molecular Formula | C26H26N2O4 |
| Molecular Weight | 430.4956 |
| SMILES | O=C(O)[C@@H](NC(OCC1C2=C(C3=C1C=CC=C3)C=CC=C2)=O)CC4=CC=C(N(C)C)C=C4 |
| Synonyms | (S)-2-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-3-(4-(dimethylamino)phenyl)propanoic acid,
861719-77-9,
|
| Complexity | 624 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 430.189g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 32 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 430.504g/mol |
| Monoisotopic Mass | 430.189g/mol |
| Rotatable Bond Count | 8 |
| Topological Polar Surface Area | 78.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.8 |
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Certificate of Analysis
Lot Number