| CAS Number | 862847-44-7 |
| Catalog Number | AG00GV8U(AGN-PC-0WBOJW) |
| Chemical Name | Boc-L-Lys(Ivdde)-Oh |
| IUPAC Name | (2S)-6-[[1-(2-hydroxy-4,4-dimethyl-6-oxocyclohexen-1-yl)-3-methylbutylidene]amino]-2-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoic acid |
| InChI | InChI=1S/C24H40N2O6/c1-15(2)12-17(20-18(27)13-24(6,7)14-19(20)28)25-11-9-8-10-16(21(29)30)26-22(31)32-23(3,4)5/h15-16,27H,8-14H2,1-7H3,(H,26,31)(H,29,30)/t16-/m0/s1 |
| InChI Key | IOJNRXWJRREUMO-INIZCTEOSA-N |
| MDL Number | MFCD07366801 |
| Molecular Formula | C24H40N2O6 |
| Molecular Weight | 452.5842 |
| SMILES | C(C)(C)(C)OC(=O)N[C@@H](CCCCNC(CC(C)C)=C1C(CC(CC1=O)(C)C)=O)C(=O)O |
| Synonyms | Boc-l-lys(ivdde)-oh,
862847-44-7,
MFCD07366801,
AKOS030212172,
ZINC104840596,
N-alpha-t-Butyloxycarbonyl-N-epsilon-[1-(4,4-dimethyl-2,6-dioxocyclohex-1-ylidene)-3-methylbutyl]-L-lysine,
|
| Complexity | 759 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 452.289g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 32 |
| Hydrogen Bond Acceptor Count | 7 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 452.592g/mol |
| Monoisotopic Mass | 452.289g/mol |
| Rotatable Bond Count | 12 |
| Topological Polar Surface Area | 125A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number