| CAS Number | 1266350-99-5 |
| Catalog Number | AG009C1D(AGN-PC-0WBOJO) |
| Chemical Name | Fmoc-ser(tbu)-thr(psime,mepro)-OH |
| IUPAC Name | (4S,5R)-3-[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-[(2-methylpropan-2-yl)oxy]propanoyl]-2,2,5-trimethyl-1,3-oxazolidine-4-carboxylic acid |
| InChI | InChI=1S/C29H36N2O7/c1-17-24(26(33)34)31(29(5,6)38-17)25(32)23(16-37-28(2,3)4)30-27(35)36-15-22-20-13-9-7-11-18(20)19-12-8-10-14-21(19)22/h7-14,17,22-24H,15-16H2,1-6H3,(H,30,35)(H,33,34)/t17-,23+,24+/m1/s1 |
| InChI Key | AVAILEBHPYBEGO-CQLNOVPUSA-N |
| MDL Number | MFCD10001374 |
| Molecular Formula | C29H36N2O7 |
| Molecular Weight | 524.6053 |
| SMILES | C[C@@H]1[C@@H](C(=O)O)N(C(=O)[C@H](COC(C)(C)C)NC(=O)OCC2C3=C(C=CC=C3)C4=C2C=CC=C4)C(C)(C)O1 |
| Synonyms | Fmoc-Ser(tBu)-Thr(Psi(Me,Me)pro)-OH,
1266350-99-5,
MFCD10001374,
AKOS030213798,
ZINC169722885,
(4S,5R)-3-(N-alpha-(9-Fluorenylmethyloxycarbonyl)-O-t-butyl-L-serinyl)-2,2,5-trimethyloxazolidine-4-carboxylic acid,
Fmoc-Ser(Tbu)-Thr(Psime,Mepro)-OH,
|
| Complexity | 863 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 3 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 524.252g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 38 |
| Hydrogen Bond Acceptor Count | 7 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 524.614g/mol |
| Monoisotopic Mass | 524.252g/mol |
| Rotatable Bond Count | 9 |
| Topological Polar Surface Area | 114A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number