| CAS Number | 110637-43-9 |
| Catalog Number | AG008S15(AGN-PC-0P0XCF) |
| Chemical Name | Aloc-L-Phe-OH DCHA |
| IUPAC Name | N-cyclohexylcyclohexanamine;(2S)-3-phenyl-2-(prop-2-enoxycarbonylamino)propanoic acid |
| InChI | InChI=1S/C13H15NO4.C12H23N/c1-2-8-18-13(17)14-11(12(15)16)9-10-6-4-3-5-7-10;1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h2-7,11H,1,8-9H2,(H,14,17)(H,15,16);11-13H,1-10H2/t11-;/m0./s1 |
| InChI Key | BUWUDPXYWHZZKS-MERQFXBCSA-N |
| MDL Number | MFCD04973097 |
| Molecular Formula | C25H38N2O4 |
| Molecular Weight | 430.5802 |
| SMILES | C1CCC(CC1)NC1CCCCC1.C=CCOC(=O)N[C@H](C(=O)O)Cc1ccccc1 |
| Synonyms | 110637-43-9,
ALOC-L-PHE-OH DCHA,
Allyloxycarbonyl-L-Phenylalanine dicyclohexylamine,
C13H15NO4.C12H23N,
DTXSID20553447,
6134AH,
MFCD04973097,
Alloc-Phe-OH (dicyclohexylammonium) salt,
Alloc-L-phenylalanine dicyclohexylamine salt,
K-0688,
Alloc-L-phenylalanine (dicyclohexylammonium) salt,
Alloc-Phe-OH (dicyclohexylammonium) salt, >=97.0%,
N-Allyloxycarbonyl-L-phenylalanine (dicyclohexylammonium) salt,
N-alpha-Allyloxycarbonyl-L-phenylalanine dicyclohexylamine salt,
dicyclohexylamine (S)-2-(allyloxycarbonylamino)-3-phenylpropanoate,
N-{[(Prop-2-en-1-yl)oxy]carbonyl}-L-phenylalanine--N-cyclohexylcyclohexanamine (1/1),
Alloc-L-phe-oh dcha,
BUWUDPXYWHZZKS-MERQFXBCSA-N,
|
| Complexity | 413 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 430.283g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 31 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 430.589g/mol |
| Monoisotopic Mass | 430.283g/mol |
| Rotatable Bond Count | 9 |
| Topological Polar Surface Area | 87.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number