| CAS Number | 109425-47-0 |
| Catalog Number | AG00HBH3(AGN-PC-0NX5L7) |
| Chemical Name | N-Alpha-(9-fluorenylmethyloxycarbonyl)-L-isoleucinyl-L-proline |
| IUPAC Name | (2S)-1-[(2S,3S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-methylpentanoyl]pyrrolidine-2-carboxylic acid |
| InChI | InChI=1S/C26H30N2O5/c1-3-16(2)23(24(29)28-14-8-13-22(28)25(30)31)27-26(32)33-15-21-19-11-6-4-9-17(19)18-10-5-7-12-20(18)21/h4-7,9-12,16,21-23H,3,8,13-15H2,1-2H3,(H,27,32)(H,30,31)/t16-,22-,23-/m0/s1 |
| InChI Key | MLWNAAGBZTXNOG-GMWOSMDTSA-N |
| MDL Number | MFCD24539473 |
| Molecular Formula | C26H30N2O5 |
| Molecular Weight | 450.5268 |
| SMILES | C1=CC=CC=2C3=CC=CC=C3C(C12)COC(=O)N[C@@H]([C@@H](C)CC)C(=O)N1[C@@H](CCC1)C(=O)O |
| Synonyms | Fmoc-Ile-Pro-OH,
109425-47-0,
N-alpha-(9-Fluorenylmethyloxycarbonyl)-L-isoleucinyl-L-proline,
SCHEMBL10512329,
MFCD00237659,
ZINC15721792,
AKOS030212644,
|
| Complexity | 706 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 3 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 450.215g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 33 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 450.535g/mol |
| Monoisotopic Mass | 450.215g/mol |
| Rotatable Bond Count | 8 |
| Topological Polar Surface Area | 95.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number