| CAS Number | 1228551-85-6 |
| Catalog Number | AG01BEUZ |
| Chemical Name | 3-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-1-(tert-butoxycarbonyl)pyrrolidine-3-carboxylic acid |
| IUPAC Name | 3-(9H-fluoren-9-ylmethoxycarbonylamino)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-3-carboxylic acid |
| InChI | InChI=1S/C25H28N2O6/c1-24(2,3)33-23(31)27-13-12-25(15-27,21(28)29)26-22(30)32-14-20-18-10-6-4-8-16(18)17-9-5-7-11-19(17)20/h4-11,20H,12-15H2,1-3H3,(H,26,30)(H,28,29) |
| InChI Key | HBGXFNDIESDQNB-UHFFFAOYSA-N |
| MDL Number | MFCD08456973 |
| Molecular Formula | C25H28N2O6 |
| Molecular Weight | 452.4996 |
| SMILES | CC(OC(N1CC(C(O)=O)(NC(OCC2C3=C(C=CC=C3)C3=C2C=CC=C3)=O)CC1)=O)(C)C |
| Synonyms | 1228551-85-6,
3-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-1-(tert-butoxycarbonyl)pyrrolidine-3-carboxylic acid,
1-[(tert-butoxy)carbonyl]-3-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)pyrrolidine-3-carboxylic acid,
AS-74739,
1-[(tert-butoxy)carbonyl]-3-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}pyrrolidine-3-carboxylic acid,
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| Complexity | 743 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 452.194737g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 33 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 452.5g/mol |
| Monoisotopic Mass | 452.194737g/mol |
| Rotatable Bond Count | 7 |
| Topological Polar Surface Area | 105Ų |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.5 |
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Certificate of Analysis
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