| CAS Number | 273222-02-9 |
| Catalog Number | AG01DWAI |
| Chemical Name | 2-((((9H-Fluoren-9-Yl)Methoxy)Carbonyl)Amino)-4-(Pyridin-4-Yl)Butanoic Acid |
| IUPAC Name | 2-(9H-fluoren-9-ylmethoxycarbonylamino)-4-pyridin-4-ylbutanoic acid |
| InChI | InChI=1S/C24H22N2O4/c27-23(28)22(10-9-16-11-13-25-14-12-16)26-24(29)30-15-21-19-7-3-1-5-17(19)18-6-2-4-8-20(18)21/h1-8,11-14,21-22H,9-10,15H2,(H,26,29)(H,27,28) |
| InChI Key | FKBUYAZUIRMSJK-UHFFFAOYSA-N |
| MDL Number | MFCD01860512 |
| Molecular Formula | C24H22N2O4 |
| Molecular Weight | 402.4425 |
| SMILES | O=C(O)C(NC(OCC1C2=C(C3=C1C=CC=C3)C=CC=C2)=O)CCC4=CC=NC=C4 |
| Synonyms | 2-((((9H-fluoren-9-yl)methoxy)carbonyl)amino)-4-(pyridin-4-yl)butanoic acid,
273222-02-9,
(S)-2-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-4-(pyridin-4-yl)butanoic acid,
273222-04-1,
|
| Complexity | 570 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 402.158g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 30 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 402.45g/mol |
| Monoisotopic Mass | 402.158g/mol |
| Rotatable Bond Count | 8 |
| Topological Polar Surface Area | 88.5A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number