| CAS Number | 198475-99-9 |
| Catalog Number | AG00APP3(AGN-PC-0QPW5K) |
| Chemical Name | Boc-Lys(Boc)-Pro-OH |
| IUPAC Name | (2S)-1-[(2S)-2,6-bis[(2-methylpropan-2-yl)oxycarbonylamino]hexanoyl]pyrrolidine-2-carboxylic acid |
| InChI | InChI=1S/C21H37N3O7/c1-20(2,3)30-18(28)22-12-8-7-10-14(23-19(29)31-21(4,5)6)16(25)24-13-9-11-15(24)17(26)27/h14-15H,7-13H2,1-6H3,(H,22,28)(H,23,29)(H,26,27)/t14-,15-/m0/s1 |
| InChI Key | CNUJKNMOGSRQMN-GJZGRUSLSA-N |
| MDL Number | MFCD00235766 |
| Molecular Formula | C21H37N3O7 |
| Molecular Weight | 443.5344 |
| SMILES | CC(C)(C)OC(=O)NCCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@H]1C(O)=O |
| Synonyms | Boc-Lys(Boc)-Pro-OH,
198475-99-9,
C21H37N3O7,
PubChem12319,
SCHEMBL16924987,
DTXSID70718544,
6407AH,
MFCD00235766,
ZINC15721570,
K-5807,
N~2~,N~6~-Bis(tert-butoxycarbonyl)-L-lysyl-L-proline,
CB10792,
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| Complexity | 652 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 2 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 443.263g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 31 |
| Hydrogen Bond Acceptor Count | 7 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 443.541g/mol |
| Monoisotopic Mass | 443.263g/mol |
| Rotatable Bond Count | 12 |
| Topological Polar Surface Area | 134A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.4 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number