| CAS Number | 855316-46-0 |
| Catalog Number | AG01EKRC(AGN-PC-0V12V4) |
| Chemical Name | N-[(9H-Fluoren-9-ylmethoxy)carbonyl]-β-alanyl-β-alanine |
| IUPAC Name | 3-[3-(9H-fluoren-9-ylmethoxycarbonylamino)propanoylamino]propanoic acid |
| InChI | InChI=1S/C21H22N2O5/c24-19(22-12-10-20(25)26)9-11-23-21(27)28-13-18-16-7-3-1-5-14(16)15-6-2-4-8-17(15)18/h1-8,18H,9-13H2,(H,22,24)(H,23,27)(H,25,26) |
| InChI Key | SIGCYSMTUQWCQG-UHFFFAOYSA-N |
| MDL Number | MFCD31615639 |
| Molecular Formula | C21H22N2O5 |
| Molecular Weight | 382.4098 |
| SMILES | C1=CC=CC=2C3=CC=CC=C3C(C12)COC(=O)NCCC(=O)NCCC(=O)O |
| Synonyms | SCHEMBL3140809,
3-[3-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)propanamido]propanoic acid,
855316-46-0,
|
| Complexity | 545 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 382.153g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 28 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 382.416g/mol |
| Monoisotopic Mass | 382.153g/mol |
| Rotatable Bond Count | 9 |
| Topological Polar Surface Area | 105A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number