| CAS Number | 2138196-65-1 |
| Catalog Number | AG01EKGD |
| Chemical Name | N-(((9H-FLUOREN-9-YL)METHOXY)CARBONYL)-N-(3-METHYLBENZYL)GLYCINE |
| IUPAC Name | 2-[9H-fluoren-9-ylmethoxycarbonyl-[(3-methylphenyl)methyl]amino]acetic acid |
| InChI | InChI=1S/C25H23NO4/c1-17-7-6-8-18(13-17)14-26(15-24(27)28)25(29)30-16-23-21-11-4-2-9-19(21)20-10-3-5-12-22(20)23/h2-13,23H,14-16H2,1H3,(H,27,28) |
| InChI Key | GFCOUHQJYIFXJZ-UHFFFAOYSA-N |
| MDL Number | MFCD31592326 |
| Molecular Formula | C25H23NO4 |
| Molecular Weight | 401.4544 |
| SMILES | C1=CC=CC=2C3=CC=CC=C3C(C12)COC(=O)N(CC(=O)O)CC1=CC(=CC=C1)C |
| Synonyms | AKOS034031502,
2-{[(9H-fluoren-9-ylmethoxy)carbonyl][(3-methylphenyl)methyl]amino}acetic acid,
2138196-65-1,
|
| Complexity | 586 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 401.163g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 30 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 401.462g/mol |
| Monoisotopic Mass | 401.163g/mol |
| Rotatable Bond Count | 7 |
| Topological Polar Surface Area | 66.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number