| CAS Number | 244227-60-9 |
| Catalog Number | AG01DW9F |
| Chemical Name | (3S)-3-[[(9H-Fluoren-9-ylmethoxy)carbonyl]amino]heptanoic acid |
| IUPAC Name | (3S)-3-(9H-fluoren-9-ylmethoxycarbonylamino)heptanoic acid |
| InChI | InChI=1S/C22H25NO4/c1-2-3-8-15(13-21(24)25)23-22(26)27-14-20-18-11-6-4-9-16(18)17-10-5-7-12-19(17)20/h4-7,9-12,15,20H,2-3,8,13-14H2,1H3,(H,23,26)(H,24,25)/t15-/m0/s1 |
| InChI Key | JLQPLDXCKOKHOY-HNNXBMFYSA-N |
| MDL Number | MFCD06740459 |
| Molecular Formula | C22H25NO4 |
| Molecular Weight | 367.4382 |
| SMILES | C(OC(N[C@@H](CCCC)CC(O)=O)=O)C1C=2C(C=3C1=CC=CC3)=CC=CC2 |
| Synonyms | (S)-3-(9H-Fluoren-9-ylmethoxycarbonylamino)-heptanoic acid,
CTK6D4171,
ZINC2530033,
244227-60-9,
CID7016855,
(3S)-3-(9H-fluoren-9-ylmethoxycarbonylamino)heptanoic Acid,
|
| Complexity | 487 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 1 |
| 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 | 9 |
| Topological Polar Surface Area | 75.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.4 |
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Certificate of Analysis
Lot Number