| CAS Number | 1820570-42-0 |
| Catalog Number | AG0023B2(AGN-PC-0WCZUQ) |
| Chemical Name | 1,2-Pyrrolidinedicarboxylic acid, 4-[[(1,1-dimethylethoxy)carbonyl]amino]-, 1-(9H-fluoren-9-ylmethyl) ester, (2R,4S)- |
| IUPAC Name | (2R,4S)-1-(9H-fluoren-9-ylmethoxycarbonyl)-4-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrolidine-2-carboxylic acid |
| InChI | InChI=1S/C25H28N2O6/c1-25(2,3)33-23(30)26-15-12-21(22(28)29)27(13-15)24(31)32-14-20-18-10-6-4-8-16(18)17-9-5-7-11-19(17)20/h4-11,15,20-21H,12-14H2,1-3H3,(H,26,30)(H,28,29)/t15-,21+/m0/s1 |
| InChI Key | FJEXPICLVWOJSE-YCRPNKLZSA-N |
| MDL Number | MFCD12755471 |
| Molecular Formula | C25H28N2O6 |
| Molecular Weight | 452.4996 |
| SMILES | O=C(O)[C@@H]1N(C[C@H](C1)NC(OC(C)(C)C)=O)C(OCC2C3=C(C=CC=C3)C4=C2C=CC=C4)=O |
| Synonyms | 1820570-42-0,
(2R,4S)-1-(((9H-Fluoren-9-yl)methoxy)carbonyl)-4-((tert-butoxycarbonyl)amino)pyrrolidine-2-carboxylic acid,
1253791-18-2,
SCHEMBL18045104,
ZINC2385642,
4227AH,
MFCD12755471,
N-Fmoc-cis-4-N-Boc-amino-D-proline,
AKOS015924309,
AJ-35165,
ST2401530,
W-3792,
(2R,4S)-Boc-4-amino-1-Fmoc-pyrrolidine-2-carboxylic acid,
C25H28N2O6,
(4S)-4-(Boc-amino)-1-Fmoc-D-proline,
(2R,4S)-1-Fmoc-4-BOC-amino Pyrrolidine-2-carboxylic acid,
1253790-74-7,
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| Complexity | 728 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 2 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 452.195g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 33 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 452.507g/mol |
| Monoisotopic Mass | 452.195g/mol |
| Rotatable Bond Count | 7 |
| Topological Polar Surface Area | 105A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.8 |
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Certificate of Analysis
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