| CAS Number | 1217776-08-3 |
| Catalog Number | AG00HGER(AGN-PC-0WBO6R) |
| Chemical Name | Boc-4,5-Dehydro-D-Leu-OH DCHA |
| IUPAC Name | N-cyclohexylcyclohexanamine;(2R)-4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pent-4-enoic acid |
| InChI | InChI=1S/C12H23N.C11H19NO4/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;1-7(2)6-8(9(13)14)12-10(15)16-11(3,4)5/h11-13H,1-10H2;8H,1,6H2,2-5H3,(H,12,15)(H,13,14)/t;8-/m.1/s1 |
| InChI Key | ZRIOKRZSXPPREV-NIFFTEIASA-N |
| MDL Number | MFCD04112665 |
| Molecular Formula | C23H42N2O4 |
| Molecular Weight | 410.5906 |
| SMILES | C1CCC(CC1)[NH2+]C1CCCCC1.CC(=C)C[C@H](C(=O)[O-])NC(=O)OC(C)(C)C |
| Synonyms | BOC-4,5-DEHYDRO-D-LEU-OH DCHA,
1217776-08-3,
6250AH,
MFCD04112665,
K-1639,
ZRIOKRZSXPPREV-NIFFTEIASA-N,
Boc-(R)-2-Methallylglycine DCHA,
C12H23N.C11H19NO4,
|
| Complexity | 407 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 410.314g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 29 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 410.599g/mol |
| Monoisotopic Mass | 410.314g/mol |
| Rotatable Bond Count | 8 |
| 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