| CAS Number | 909115-33-9 |
| Catalog Number | AG00GTMM(AGN-PC-0VRD44) |
| Chemical Name | FMOC-GLU(OTBU)-SER(PSI-ME,MEPRO)-OH |
| IUPAC Name | (4S)-3-[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoyl]-2,2-dimethyl-1,3-oxazolidine-4-carboxylic acid |
| InChI | InChI=1S/C30H36N2O8/c1-29(2,3)40-25(33)15-14-23(26(34)32-24(27(35)36)17-39-30(32,4)5)31-28(37)38-16-22-20-12-8-6-10-18(20)19-11-7-9-13-21(19)22/h6-13,22-24H,14-17H2,1-5H3,(H,31,37)(H,35,36)/t23-,24-/m0/s1 |
| InChI Key | DSGXIRQTDFOKPQ-ZEQRLZLVSA-N |
| MDL Number | MFCD18427719 |
| Molecular Formula | C30H36N2O8 |
| Molecular Weight | 552.6154 |
| SMILES | CC1(N([C@@H](CO1)C(=O)O)C(=O)[C@H](CCC(=O)OC(C)(C)C)NC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24)C |
| Synonyms | 909115-33-9,
Fmoc-Glu(OtBu)-Ser(Psi(Me,Me)pro)-OH,
Fmoc-Glu(Otbu)-Ser(Psime,Mepro)-OH,
Fmoc-Glu(OtBu)-Ser{psi(Me,Me)pro}-OH,
Fmoc-Glu(OtBu)-Ser[Psi(Me,Me)Pro]-OH,
6889AH,
MFCD18427719,
AKOS025289502,
ZINC169722871,
CF-1357,
FMOC-GLU(OTBU)-SER(PSI-ME,MEPRO)-OH,
(S)-3-(N-alpha-(9-Fluorenylmethyloxycarbonyl)-L-glutamyl-t-butyl ester)-2,2-dimethyloxazolidine-4-carboxylic acid,
C30H36N2O8,
|
| Complexity | 938 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 2 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 552.247g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 40 |
| Hydrogen Bond Acceptor Count | 8 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 552.624g/mol |
| Monoisotopic Mass | 552.247g/mol |
| Rotatable Bond Count | 11 |
| Topological Polar Surface Area | 132A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.8 |
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Certificate of Analysis
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