| CAS Number | 1093651-96-7 |
| Catalog Number | AG00HBFT(AGN-PC-0WR4DE) |
| Chemical Name | (2S,4R)-Fmoc-4-phenyl-pyrrolidine-2-carboxylic acid |
| IUPAC Name | (2S,4R)-1-(9H-fluoren-9-ylmethoxycarbonyl)-4-phenylpyrrolidine-2-carboxylic acid |
| InChI | InChI=1S/C26H23NO4/c28-25(29)24-14-18(17-8-2-1-3-9-17)15-27(24)26(30)31-16-23-21-12-6-4-10-19(21)20-11-5-7-13-22(20)23/h1-13,18,23-24H,14-16H2,(H,28,29)/t18-,24-/m0/s1 |
| InChI Key | YABZSVAQRSIEAZ-UUOWRZLLSA-N |
| MDL Number | MFCD06656464 |
| Molecular Formula | C26H23NO4 |
| Molecular Weight | 413.4651 |
| SMILES | C(=O)(OCC1C2=CC=CC=C2C2=CC=CC=C12)N1[C@@H](C[C@@H](C1)C1=CC=CC=C1)C(=O)O |
| Synonyms | (2S,4R)-Fmoc-4-phenyl-pyrrolidine-2-carboxylic acid,
1093651-96-7,
(2s,4r)-1-(((9h-fluoren-9-yl)methoxy)carbonyl)-4-phenylpyrrolidine-2-carboxylic acid,
AC1MBSWI,
SCHEMBL1830867,
YABZSVAQRSIEAZ-UUOWRZLLSA-N,
MFCD06656464,
ZINC14632666,
AKOS026671196,
DS-10047,
CS-0062087,
A-8400,
(2S,4R)-Fmoc-4-phenyl-pyrrolidine-2-carboxylic acid, AldrichCPR,
(2S,4R)-1-(9H-fluoren-9-ylmethoxycarbonyl)-4-phenylpyrrolidine-2-carboxylic acid,
CID2756146,
1-(9H-fluoren-9-ylmethoxycarbonyl)-4-phenyl-pyrrolidine-2-carboxylic Acid,
|
| Complexity | 638 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 2 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 413.163g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 31 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 413.473g/mol |
| Monoisotopic Mass | 413.163g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 66.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.7 |
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Certificate of Analysis
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