| CAS Number | 1379862-69-7 |
| Catalog Number | AG01DVZE |
| Chemical Name | 2-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)-3-(1,3-thiazol-2-yl)propanoic acid |
| IUPAC Name | 2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-(1,3-thiazol-2-yl)propanoic acid |
| InChI | InChI=1S/C21H18N2O4S/c24-20(25)18(11-19-22-9-10-28-19)23-21(26)27-12-17-15-7-3-1-5-13(15)14-6-2-4-8-16(14)17/h1-10,17-18H,11-12H2,(H,23,26)(H,24,25) |
| InChI Key | HBHYBVLFMJXMIX-UHFFFAOYSA-N |
| MDL Number | MFCD09918330 |
| Molecular Formula | C21H18N2O4S |
| Molecular Weight | 394.4436 |
| SMILES | OC(C(NC(OCC1C2=C(C=CC=C2)C2=C1C=CC=C2)=O)CC1SC=CN=1)=O |
| Synonyms | 2-((((9H-fluoren-9-yl)methoxy)carbonyl)amino)-3-(thiazol-2-yl)propanoic acid,
1379862-69-7,
(R)-2-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-3-(thiazol-2-yl)propanoic acid,
(S)-2-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-3-(thiazol-2-yl)propanoic acid,
1306728-64-2,
1987261-05-1,
AKOS034119032,
|
| Complexity | 553 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 394.099g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 28 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 394.445g/mol |
| Monoisotopic Mass | 394.099g/mol |
| Rotatable Bond Count | 7 |
| Topological Polar Surface Area | 117A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number