| CAS Number | 920519-31-9 |
| Catalog Number | AG00GTMV(AGN-PC-0WBOBF) |
| Chemical Name | FMOC-TYR(TBU)-THR(PSI-ME,MEPRO)-OH |
| IUPAC Name | (4S,5R)-3-[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]propanoyl]-2,2,5-trimethyl-1,3-oxazolidine-4-carboxylic acid |
| InChI | InChI=1S/C35H40N2O7/c1-21-30(32(39)40)37(35(5,6)43-21)31(38)29(19-22-15-17-23(18-16-22)44-34(2,3)4)36-33(41)42-20-28-26-13-9-7-11-24(26)25-12-8-10-14-27(25)28/h7-18,21,28-30H,19-20H2,1-6H3,(H,36,41)(H,39,40)/t21-,29+,30+/m1/s1 |
| InChI Key | JYSMURJYNLWZNY-RIGQTMPJSA-N |
| MDL Number | MFCD08064321 |
| Molecular Formula | C35H40N2O7 |
| Molecular Weight | 600.7013 |
| SMILES | C[C@@H]1[C@H](N(C(O1)(C)C)C(=O)[C@H](CC2=CC=C(C=C2)OC(C)(C)C)NC(=O)OCC3C4=CC=CC=C4C5=CC=CC=C35)C(=O)O |
| Synonyms | 920519-31-9,
Fmoc-Tyr(tBu)-Thr(Psi(Me,Me)pro)-OH,
Fmoc-Tyr(Tbu)-Thr(Psime,Mepro)-OH,
Fmoc-Tyr(tBu)-Thr{psi(Me,Me)pro}-OH,
C35H40N2O7,
7003AH,
MFCD08064321,
AKOS025289504,
ZINC101660786,
CF-1374,
FMOC-TYR(TBU)-THR(PSI-ME,MEPRO)-OH,
(4S,5R)-3-(N-alpha-(9-Fluorenylmethyloxycarbonyl)-O-t-butyl-L-tyrosinyl)-2,2,5-trimethyloxazolidine-4-carboxylic acid,
Fmoc-Trp(Boc)-Thr[Psi(Me,Me)Pro]-OH,
|
| Complexity | 1010 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 3 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 600.284g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 44 |
| Hydrogen Bond Acceptor Count | 7 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 600.712g/mol |
| Monoisotopic Mass | 600.284g/mol |
| Rotatable Bond Count | 10 |
| Topological Polar Surface Area | 114A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 5.9 |
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Certificate of Analysis
Lot Number