| CAS Number | 200943-66-4 |
| Catalog Number | AG00BGLV(AGN-PC-0QRSHB) |
| Chemical Name | boc-lys(tos)-onp |
| IUPAC Name | (4-nitrophenyl) (2S)-6-[(4-methylphenyl)sulfonylamino]-2-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoate |
| InChI | InChI=1S/C24H31N3O8S/c1-17-8-14-20(15-9-17)36(32,33)25-16-6-5-7-21(26-23(29)35-24(2,3)4)22(28)34-19-12-10-18(11-13-19)27(30)31/h8-15,21,25H,5-7,16H2,1-4H3,(H,26,29)/t21-/m0/s1 |
| InChI Key | XZGBBZOXFMHCCM-NRFANRHFSA-N |
| MDL Number | MFCD00236859 |
| Molecular Formula | C24H31N3O8S |
| Molecular Weight | 521.5832 |
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)NCCCC[C@H](NC(=O)OC(C)(C)C)C(=O)OC1=CC=C(C=C1)[N+]([O-])=O |
| Synonyms | BOC-LYS(TOS)-ONP,
200943-66-4,
C24H31N3O8S,
6413AH,
MFCD00236859,
ZINC71788042,
AS-46854,
K-5871,
|
| Complexity | 831 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 521.183g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 36 |
| Hydrogen Bond Acceptor Count | 9 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 521.585g/mol |
| Monoisotopic Mass | 521.183g/mol |
| Rotatable Bond Count | 13 |
| Topological Polar Surface Area | 165A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number