| CAS Number | 1308334-66-8 |
| Catalog Number | AG01BK5W |
| Chemical Name | (3S)-3-[({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)methyl]-5-methylhexanoic acid |
| IUPAC Name | (3S)-3-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]-5-methylhexanoic acid |
| InChI | InChI=1S/C23H27NO4/c1-15(2)11-16(12-22(25)26)13-24-23(27)28-14-21-19-9-5-3-7-17(19)18-8-4-6-10-20(18)21/h3-10,15-16,21H,11-14H2,1-2H3,(H,24,27)(H,25,26)/t16-/m0/s1 |
| InChI Key | QSNYPRXHBQZYBM-INIZCTEOSA-N |
| MDL Number | MFCD21247144 |
| Molecular Formula | C23H27NO4 |
| Molecular Weight | 381.4648 |
| SMILES | CC(C[C@@H](CC(=O)O)CNC(=O)OCC1c2ccccc2c2c1cccc2)C |
| Synonyms | (3S)-3-[({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)methyl]-5-methylhexanoic acid,
1308334-66-8,
SCHEMBL18103104,
AKOS014829734,
ZINC114592636,
Z2527705498,
|
| Complexity | 513 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 381.194g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 28 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 381.472g/mol |
| Monoisotopic Mass | 381.194g/mol |
| Rotatable Bond Count | 9 |
| Topological Polar Surface Area | 75.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number