| CAS Number | 1343146-15-5 |
| Catalog Number | AG01AJM0(AGN-PC-0WOFGL) |
| Chemical Name | 2-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)-2-methylpentanoic acid |
| IUPAC Name | 2-(9H-fluoren-9-ylmethoxycarbonylamino)-2-methylpentanoic acid |
| InChI | InChI=1S/C21H23NO4/c1-3-12-21(2,19(23)24)22-20(25)26-13-18-16-10-6-4-8-14(16)15-9-5-7-11-17(15)18/h4-11,18H,3,12-13H2,1-2H3,(H,22,25)(H,23,24) |
| InChI Key | JJDVDOMASOCGOV-UHFFFAOYSA-N |
| MDL Number | MFCD18263425 |
| Molecular Formula | C21H23NO4 |
| Molecular Weight | 353.4116 |
| SMILES | CCCC(C(O)=O)(NC(OCC1C2=C(C=CC=C2)C2=C1C=CC=C2)=O)C |
| Synonyms | 2-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}-2-methylpentanoic acid,
1343146-15-5,
AKOS009415523,
|
| Complexity | 500 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 353.163g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 26 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 353.418g/mol |
| Monoisotopic Mass | 353.163g/mol |
| Rotatable Bond Count | 7 |
| Topological Polar Surface Area | 75.6A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.1 |
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Certificate of Analysis
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