| CAS Number | 1998596-44-3 |
| Catalog Number | AG01EKNK |
| Chemical Name | (R)-2-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-3-(quinolin-6-yl)propanoic acid |
| IUPAC Name | (2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-quinolin-6-ylpropanoic acid |
| InChI | InChI=1S/C27H22N2O4/c30-26(31)25(15-17-11-12-24-18(14-17)6-5-13-28-24)29-27(32)33-16-23-21-9-3-1-7-19(21)20-8-2-4-10-22(20)23/h1-14,23,25H,15-16H2,(H,29,32)(H,30,31)/t25-/m1/s1 |
| InChI Key | SDOCAXUVRCYHEN-RUZDIDTESA-N |
| MDL Number | MFCD31736243 |
| Molecular Formula | C27H22N2O4 |
| Molecular Weight | 438.4746 |
| SMILES | OC([C@H](NC(OCC1C2=C(C=CC=C2)C2=C1C=CC=C2)=O)CC1=CC2=C(N=CC=C2)C=C1)=O |
| Synonyms | (R)-2-((((9H-fluoren-9-yl)methoxy)carbonyl)amino)-3-(quinolin-6-yl)propanoic acid,
1998596-44-3,
|
| Complexity | 678 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 438.158g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 33 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 438.483g/mol |
| Monoisotopic Mass | 438.158g/mol |
| Rotatable Bond Count | 7 |
| Topological Polar Surface Area | 88.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.9 |
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Certificate of Analysis
Lot Number