| CAS Number | 140842-91-7 |
| Catalog Number | AG009IVH(AGN-PC-0PPXYM) |
| Chemical Name | boc-cys(mbzl)-osu |
| IUPAC Name | (2,5-dioxopyrrolidin-1-yl) (2R)-3-[(4-methylphenyl)methylsulfanyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate |
| InChI | InChI=1S/C20H26N2O6S/c1-13-5-7-14(8-6-13)11-29-12-15(21-19(26)27-20(2,3)4)18(25)28-22-16(23)9-10-17(22)24/h5-8,15H,9-12H2,1-4H3,(H,21,26)/t15-/m0/s1 |
| InChI Key | JMTFQOBMHSNDOP-HNNXBMFYSA-N |
| MDL Number | MFCD00236833 |
| Molecular Formula | C20H26N2O6S |
| Molecular Weight | 422.4952 |
| SMILES | CC1=CC=C(CSC[C@H](NC(=O)OC(C)(C)C)C(=O)ON2C(=O)CCC2=O)C=C1 |
| Synonyms | BOC-CYS(MBZL)-OSU,
140842-91-7,
C20H26N2O6S,
6294AH,
MFCD00236833,
ZINC71788035,
AKOS027250971,
AS-49021,
K-4533,
(R)-2,5-Dioxopyrrolidin-1-yl 2-((tert-butoxycarbonyl)amino)-3-((4-methylbenzyl)thio)propanoate,
|
| Complexity | 609 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 422.151g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 29 |
| Hydrogen Bond Acceptor Count | 7 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 422.496g/mol |
| Monoisotopic Mass | 422.151g/mol |
| Rotatable Bond Count | 10 |
| Topological Polar Surface Area | 127A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number