| CAS Number | 959576-18-2 |
| Catalog Number | AG00IJLC(AGN-PC-0WR0EF) |
| Chemical Name | (2S,4R)-FMOC-4-(4-FLUOROBENZYL)-PYRROLIDINE-2-CARBOXYLIC ACID |
| IUPAC Name | (2S,4R)-1-(9H-fluoren-9-ylmethoxycarbonyl)-4-[(4-fluorophenyl)methyl]pyrrolidine-2-carboxylic acid |
| InChI | InChI=1S/C27H24FNO4/c28-19-11-9-17(10-12-19)13-18-14-25(26(30)31)29(15-18)27(32)33-16-24-22-7-3-1-5-20(22)21-6-2-4-8-23(21)24/h1-12,18,24-25H,13-16H2,(H,30,31)/t18-,25+/m1/s1 |
| InChI Key | VEXHSSPGYVPINR-CJAUYULYSA-N |
| MDL Number | MFCD06656470 |
| Molecular Formula | C27H24FNO4 |
| Molecular Weight | 445.4822 |
| SMILES | O=[C@@]([C@H]1N(C(OCC4C3=CC=CC=C3C5=CC=CC=C45)=O)C[C@H](CC2=CC=C(F)C=C2)C1)O |
| Synonyms | 959576-18-2,
(2S,4R)-Fmoc-4-(4-fluorobenzyl)pyrrolidine-2-carboxylic acid,
(2S,4R)-Fmoc-4-(4-fluorobenzyl)-pyrrolidine-2-carboxylic acid,
AC1MBSZO,
MFCD06656470,
ZINC33369284,
A-7612,
(2S,4R)-1-(9H-fluoren-9-ylmethoxycarbonyl)-4-[(4-fluorophenyl)methyl]pyrrolidine-2-carboxylic acid,
CID2756184,
1-(9H-fluoren-9-ylmethoxycarbonyl)-4-[(4-fluorophenyl)methyl]pyrrolidine-2-carboxylic Acid,
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| Complexity | 686 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 2 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 445.169g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 33 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 445.49g/mol |
| Monoisotopic Mass | 445.169g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 66.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 5.3 |
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Certificate of Analysis
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