| CAS Number | 908601-15-0 |
| Catalog Number | AG00GTMW(AGN-PC-0WOK5B) |
| Chemical Name | (S)-3-((S)-2-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-3-(1-(tert-butoxycarbonyl)-1H-indol-3-yl)propanoyl)-2,2-dimethyloxazolidine-5-carboxylic acid |
| IUPAC Name | 3-[2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-[1-[(2-methylpropan-2-yl)oxycarbonyl]indol-3-yl]propanoyl]-2,2-dimethyl-1,3-oxazolidine-4-carboxylic acid |
| InChI | InChI=1S/C37H39N3O8/c1-36(2,3)48-35(45)39-19-22(23-12-10-11-17-30(23)39)18-29(32(41)40-31(33(42)43)21-47-37(40,4)5)38-34(44)46-20-28-26-15-8-6-13-24(26)25-14-7-9-16-27(25)28/h6-17,19,28-29,31H,18,20-21H2,1-5H3,(H,38,44)(H,42,43) |
| InChI Key | BVOXZEOINKCAMZ-UHFFFAOYSA-N |
| MDL Number | MFCD10001380 |
| Molecular Formula | C37H39N3O8 |
| Molecular Weight | 653.7209 |
| SMILES | C1=CC=CC=2C3=CC=CC=C3C(C12)COC(=O)N[C@H](C(=O)N1C(O[C@@H](C1)C(=O)O)(C)C)CC1=CN(C2=CC=CC=C12)C(=O)OC(C)(C)C |
| Synonyms | Fmoc-Trp(Boc)-Ser(Psi(Me,Me)pro)-OH,
908601-15-0,
MFCD10001380,
|
| Complexity | 1200 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 653.274g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 48 |
| Hydrogen Bond Acceptor Count | 8 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 653.732g/mol |
| Monoisotopic Mass | 653.274g/mol |
| Rotatable Bond Count | 10 |
| Topological Polar Surface Area | 136A^2 |
| Undefined Atom Stereocenter Count | 2 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 5.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number