| CAS Number | 1301706-36-4 |
| Catalog Number | AG009DOI(AGN-PC-0WBOJY) |
| Chemical Name | Boc-L-Lys(Ns)-OH |
| IUPAC Name | (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-6-[(2-nitrophenyl)sulfonylamino]hexanoic acid |
| InChI | InChI=1S/C17H25N3O8S/c1-17(2,3)28-16(23)19-12(15(21)22)8-6-7-11-18-29(26,27)14-10-5-4-9-13(14)20(24)25/h4-5,9-10,12,18H,6-8,11H2,1-3H3,(H,19,23)(H,21,22)/t12-/m0/s1 |
| InChI Key | VHWIGZMAQNMNOK-LBPRGKRZSA-N |
| MDL Number | MFCD13184901 |
| Molecular Formula | C17H25N3O8S |
| Molecular Weight | 431.4607 |
| SMILES | O=C(OC(C)(C)C)N[C@H](C(=O)O)CCCCNS(=O)(=O)c1ccccc1[N+](=O)[O-] |
| Synonyms | 1301706-36-4,
Boc-l-lys(ns)-oh,
N-alpha-t-Butyloxycarbonyl-N-epsilon-(2-nitrobenzenesulfonyl)-L-lysine, N-alpha-Boc-N-epsilon-nosyl-L-lysine,
MFCD13184901,
AKOS030212255,
ZINC104840700,
|
| Complexity | 678 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 431.136g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 29 |
| Hydrogen Bond Acceptor Count | 9 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 431.46g/mol |
| Monoisotopic Mass | 431.136g/mol |
| Rotatable Bond Count | 11 |
| Topological Polar Surface Area | 176A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number