| CAS Number | 121697-35-6 |
| Catalog Number | AG00HGCC(AGN-PC-0PFQJJ) |
| Chemical Name | Fmoc-ile-osu |
| IUPAC Name | (2,5-dioxopyrrolidin-1-yl) (2S,3S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-methylpentanoate |
| InChI | InChI=1S/C25H26N2O6/c1-3-15(2)23(24(30)33-27-21(28)12-13-22(27)29)26-25(31)32-14-20-18-10-6-4-8-16(18)17-9-5-7-11-19(17)20/h4-11,15,20,23H,3,12-14H2,1-2H3,(H,26,31)/t15-,23-/m0/s1 |
| InChI Key | XPCMQYXXCGKJHT-WNSKOXEYSA-N |
| MDL Number | MFCD00190886 |
| Molecular Formula | C25H26N2O6 |
| Molecular Weight | 450.4837 |
| SMILES | CC[C@@H]([C@@H](C(=O)ON1C(=O)CCC1=O)NC(=O)OCC1c2ccccc2-c2c1cccc2)C |
| Synonyms | Fmoc-ile-OSu,
121697-35-6,
ZINC2556589,
MFCD00190886,
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| Complexity | 732 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 2 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 450.179g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 33 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 450.491g/mol |
| Monoisotopic Mass | 450.179g/mol |
| Rotatable Bond Count | 9 |
| Topological Polar Surface Area | 102A^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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