| CAS Number | 878797-01-4 |
| Catalog Number | AG00GTN3(AGN-PC-0VHEUB) |
| Chemical Name | Fmoc-Phe-Ser(Psime,Mepro)-OH |
| IUPAC Name | (4S)-3-[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-phenylpropanoyl]-2,2-dimethyl-1,3-oxazolidine-4-carboxylic acid |
| InChI | InChI=1S/C30H30N2O6/c1-30(2)32(26(18-38-30)28(34)35)27(33)25(16-19-10-4-3-5-11-19)31-29(36)37-17-24-22-14-8-6-12-20(22)21-13-7-9-15-23(21)24/h3-15,24-26H,16-18H2,1-2H3,(H,31,36)(H,34,35)/t25-,26-/m0/s1 |
| InChI Key | PQJUKTSKOYOXMZ-UIOOFZCWSA-N |
| MDL Number | MFCD11974985 |
| Molecular Formula | C30H30N2O6 |
| Molecular Weight | 514.5690 |
| SMILES | O=C([C@H]1N(C([C@@H](NC(OCC2C3=C(C4=C2C=CC=C4)C=CC=C3)=O)CC5=CC=CC=C5)=O)C(C)(C)OC1)O |
| Synonyms | 878797-01-4,
Fmoc-Phe-Ser(Psi(Me,Me)pro)-OH,
Fmoc-Phe-Ser(Psime,Mepro)-OH,
(4S)-3-(Fmoc-Phe)-2,2-dimethyl-oxazolidine-4-carboxylic acid,
C30H30N2O6,
Fmoc-Phe-Ser{psi(Me,Me)pro}-OH,
Fmoc-Phe-Ser[Psi(Me,Me)Pro]-OH,
6981AH,
MFCD11974985,
ZINC71788177,
AKOS025289497,
CF-1367,
(S)-3-(N-(9-Fluorenylmethyloxycarbonyl)-L-phenylalaninyl)-2,2-dimethyloxazolidine-4-carboxylic acid,
Fmoc-Lys(Boc)-Thr(Psi(Me,Me)pro)-OH,
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| Complexity | 849 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 2 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 514.21g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 38 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 514.578g/mol |
| Monoisotopic Mass | 514.21g/mol |
| Rotatable Bond Count | 8 |
| Topological Polar Surface Area | 105A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.5 |
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Certificate of Analysis
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