| CAS Number | 1425938-63-1 |
| Catalog Number | AG00HWIV(AGN-PC-0WBOJP) |
| Chemical Name | Fmoc-Thr(tBu)-Ser[Psi(Me,Me)Pro]-OH |
| IUPAC Name | (4S)-3-[(2S,3R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-[(2-methylpropan-2-yl)oxy]butanoyl]-2,2-dimethyl-1,3-oxazolidine-4-carboxylic acid |
| InChI | InChI=1S/C29H36N2O7/c1-17(38-28(2,3)4)24(25(32)31-23(26(33)34)16-37-29(31,5)6)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 | ZWRFHHZZRMZKFK-CQLNOVPUSA-N |
| MDL Number | MFCD02682878 |
| Molecular Formula | C29H36N2O7 |
| Molecular Weight | 524.6053 |
| SMILES | O=C(N1[C@@H](COC1(C)C)C(O)=O)[C@H]([C@@H](C)OC(C)(C)C)NC(OCC2C3=CC=CC=C3C4=CC=CC=C42)=O |
| Synonyms | 1425938-63-1,
SCHEMBL12088545,
ZINC71788176,
AKOS030213814,
AS-62367,
(4S)-3-[(2S,3R)-3-(tert-butoxy)-2-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)butanoyl]-2,2-dimethyl-1,3-oxazolidine-4-carboxylic acid,
Fmoc-Thr(Tbu)-Ser(Psi(Me,Me)Pro)-OH,
Fmoc-Thr(tBu)-Ser[Psi(Me,Me)Pro]-OH,
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| Complexity | 863 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 3 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 524.252252g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 38 |
| Hydrogen Bond Acceptor Count | 7 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 524.6g/mol |
| Monoisotopic Mass | 524.252252g/mol |
| Rotatable Bond Count | 9 |
| Topological Polar Surface Area | 114Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.9 |
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Certificate of Analysis
Lot Number