| CAS Number | 957780-56-2 |
| Catalog Number | AG00IJG6(AGN-PC-0WBOJG) |
| Chemical Name | Fmoc-Glu(OtBu)-Thr[Psi(Me,Me)Pro]-OH |
| IUPAC Name | (4S,5R)-3-[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoyl]-2,2,5-trimethyl-1,3-oxazolidine-4-carboxylic acid |
| InChI | InChI=1S/C31H38N2O8/c1-18-26(28(36)37)33(31(5,6)40-18)27(35)24(15-16-25(34)41-30(2,3)4)32-29(38)39-17-23-21-13-9-7-11-19(21)20-12-8-10-14-22(20)23/h7-14,18,23-24,26H,15-17H2,1-6H3,(H,32,38)(H,36,37)/t18-,24+,26+/m1/s1 |
| InChI Key | SIDKUUFAHNZJLW-VAQLEPBLSA-N |
| MDL Number | MFCD18427360 |
| Molecular Formula | C31H38N2O8 |
| Molecular Weight | 566.6420 |
| SMILES | C(OC(N[C@H](C(=O)N1[C@H](C(O)=O)[C@@H](C)OC1(C)C)CCC(OC(C)(C)C)=O)=O)C2C=3C(C=4C2=CC=CC4)=CC=CC3 |
| Synonyms | 957780-56-2,
Fmoc-Glu(OtBu)-Thr(psi(Me,Me)pro)-OH,
Fmoc-Glu(Otbu)-Thr(Psime,Mepro)-OH,
Fmoc-Glu(OtBu)-Thr{psi(Me,Me)pro}-OH,
Fmoc-Glu(OtBu)-Thr[Psi(Me,Me)Pro]-OH,
C31H38N2O8,
6890AH,
MFCD18427360,
AKOS030213797,
ZINC169722872,
CF-1358,
(4S,5R)-3-(N-alpha-(9-Fluorenylmethyloxycarbonyl)-L-glutamyl-t-butyl ester)-2,2,5-dimethyloxazolidine-4-carboxylic acid,
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| Complexity | 969 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 3 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 566.263g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 41 |
| Hydrogen Bond Acceptor Count | 8 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 566.651g/mol |
| Monoisotopic Mass | 566.263g/mol |
| Rotatable Bond Count | 11 |
| Topological Polar Surface Area | 132A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.2 |
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Certificate of Analysis
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