| CAS Number | 224173-51-7 |
| Catalog Number | AG01BK3G |
| Chemical Name | 2-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)-3-(1H-1,2,4-triazol-1-yl)propanoic acid |
| IUPAC Name | 2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-(1,2,4-triazol-1-yl)propanoic acid |
| InChI | InChI=1S/C20H18N4O4/c25-19(26)18(9-24-12-21-11-22-24)23-20(27)28-10-17-15-7-3-1-5-13(15)14-6-2-4-8-16(14)17/h1-8,11-12,17-18H,9-10H2,(H,23,27)(H,25,26) |
| InChI Key | XGPCEHLWWDGWIG-UHFFFAOYSA-N |
| MDL Number | MFCD28389285 |
| Molecular Formula | C20H18N4O4 |
| Molecular Weight | 378.3813 |
| SMILES | OC(C(NC(OCC1C2=C(C=CC=C2)C2=C1C=CC=C2)=O)CN1N=CN=C1)=O |
| Synonyms | 224173-51-7,
2-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-3-(1H-1,2,4-triazol-1-yl)propanoic acid,
2-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)-3-(1H-1,2,4-triazol-1-yl)propanoic acid,
SCHEMBL1829788,
AKOS026739808,
|
| Complexity | 552 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 378.133g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 28 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 378.388g/mol |
| Monoisotopic Mass | 378.133g/mol |
| Rotatable Bond Count | 7 |
| Topological Polar Surface Area | 106A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number