| CAS Number | 10382-52-2 |
| Catalog Number | AG009RBV(AGN-PC-0OSLEF) |
| Chemical Name | N-O-NITROPHENYLSULFENYL-L-ISOLEUCINE*DCH A |
| IUPAC Name | N-cyclohexylcyclohexanamine;(2S,3S)-3-methyl-2-[(2-nitrophenyl)sulfanylamino]pentanoic acid |
| InChI | InChI=1S/C12H16N2O4S.C12H23N/c1-3-8(2)11(12(15)16)13-19-10-7-5-4-6-9(10)14(17)18;1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h4-8,11,13H,3H2,1-2H3,(H,15,16);11-13H,1-10H2/t8-,11-;/m0./s1 |
| InChI Key | IBYYSIWLIRUKII-RWHJDYSMSA-N |
| MDL Number | MFCD00038495 |
| Molecular Formula | C24H39N3O4S |
| Molecular Weight | 465.6492 |
| SMILES | C1CCC(CC1)NC1CCCCC1.CC[C@H](C)[C@H](NSC1=C(C=CC=C1)[N+]([O-])=O)C(O)=O |
| Synonyms | N-2-Nitrophenylsulfenyl-L-isoleucine Dicyclohexylammonium Salt,
10382-52-2,
MFCD00038495,
dicyclohexylamine (2S,3S)-3-methyl-2-(2-nitrophenylthioamino)pentanoate,
o-Nps-L-isoleucine dicyclohexylamine salt,
7675-49-2,
|
| Complexity | 437 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 2 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 465.266g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 32 |
| Hydrogen Bond Acceptor Count | 7 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 465.653g/mol |
| Monoisotopic Mass | 465.266g/mol |
| Rotatable Bond Count | 8 |
| Topological Polar Surface Area | 133A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number