| CAS Number | 68262-72-6 |
| Catalog Number | AG003OFT(AGN-PC-0TRU6Y) |
| Chemical Name | N2-(tert-butoxycarbonyl)-Nw-(mesitylsulfonyl)-L-argininate cyclohexanamine |
| IUPAC Name | (2R)-5-[[amino-[(2,4,6-trimethylphenyl)sulfonylamino]methylidene]amino]-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid;cyclohexanamine |
| InChI | InChI=1S/C20H32N4O6S.C6H13N/c1-12-10-13(2)16(14(3)11-12)31(28,29)24-18(21)22-9-7-8-15(17(25)26)23-19(27)30-20(4,5)6;7-6-4-2-1-3-5-6/h10-11,15H,7-9H2,1-6H3,(H,23,27)(H,25,26)(H3,21,22,24);6H,1-5,7H2/t15-;/m1./s1 |
| InChI Key | YZLIRHMRDOFTHQ-XFULWGLBSA-N |
| MDL Number | MFCD00236820 |
| Molecular Formula | C26H45N5O6S |
| Molecular Weight | 555.7304 |
| SMILES | NC1CCCCC1.Cc1cc(C)c(c(C)c1)S(=O)(=O)NC(=N)NCCC[C@H](NC(=O)OC(C)(C)C)C(O)=O |
| Synonyms | 68262-72-6,
Boc-D-Arg(Mts)-OH Cha,
Boc-Arg(Mts)-OH cyclohexylammonium salt,
Boc-D-Arg(Mts)-OH.CHA,
MFCD00236820,
PubChem12111,
DTXSID90725396,
C20H32N4O6S.C6H13N,
6312AH,
Boc-Arg(Mts)-OH cyclohexylammonium salt, >=99.0% (TLC),
N|A-Boc-N|O-(mesitylene-2-sulfonyl)-L-arginine cyclohexylammonium salt,
(E)-N~5~-{Amino[(2,4,6-trimethylbenzene-1-sulfonyl)amino]methylidene}-N~2~-(tert-butoxycarbonyl)-D-ornithine--cyclohexanamine (1/1),
Boc-Arg(Mts)-OH CHA,
BOC-D-ARG -OHCHA,
Na-Boc-Nw-(mesitylene-2-sulfonyl)-L-arginine cyclohexylammonium salt,
68262-71-5,
|
| Complexity | 791 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 555.309g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 38 |
| Hydrogen Bond Acceptor Count | 8 |
| Hydrogen Bond Donor Count | 5 |
| Isotope Atom Count | 0 |
| Molecular Weight | 555.735g/mol |
| Monoisotopic Mass | 555.309g/mol |
| Rotatable Bond Count | 11 |
| Topological Polar Surface Area | 195A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number