| CAS Number | 1147996-34-6 |
| Catalog Number | AG008T43(AGN-PC-0WBOJI) |
| Chemical Name | Fmoc-Ile-Ser(psi(Me, Me)Pro)-OH |
| IUPAC Name | (4S)-3-[(2S,3S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-methylpentanoyl]-2,2-dimethyl-1,3-oxazolidine-4-carboxylic acid |
| InChI | InChI=1S/C27H32N2O6/c1-5-16(2)23(24(30)29-22(25(31)32)15-35-27(29,3)4)28-26(33)34-14-21-19-12-8-6-10-17(19)18-11-7-9-13-20(18)21/h6-13,16,21-23H,5,14-15H2,1-4H3,(H,28,33)(H,31,32)/t16-,22-,23-/m0/s1 |
| InChI Key | KTHJSWOIIDYVSO-GMWOSMDTSA-N |
| MDL Number | MFCD11974984 |
| Molecular Formula | C27H32N2O6 |
| Molecular Weight | 480.5528 |
| SMILES | CC[C@@H]([C@H](NC(OCC1C2=CC=CC=C2C3=CC=CC=C31)=O)C(N4[C@H](C(O)=O)COC4(C)C)=O)C |
| Synonyms | 1147996-34-6,
Fmoc-Ile-Ser(Psi(Me,Me)pro)-OH,
Fmoc-Ile-Ser(Psime,Mepro)-OH,
Fmoc-Ile-Ser[Psi(Me,Me)Pro]-OH,
(4S)-3-(Fmoc-Ile)-2,2-dimethyl-oxazolidine-4-carboxylic acid,
6904AH,
MFCD11974984,
ZINC71788175,
AKOS025289425,
(S)-3-(N-(9-Fluorenylmethyloxycarbonyl)-L-isoleucinyl)-2,2-dimethyloxazolidine-4-carboxylic acid,
C27H32N2O6,
|
| Complexity | 779 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 3 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 480.226g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 35 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 480.561g/mol |
| Monoisotopic Mass | 480.226g/mol |
| Rotatable Bond Count | 8 |
| Topological Polar Surface Area | 105A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.3 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number