| CAS Number | 350820-59-6 |
| Catalog Number | AG00C67I(AGN-PC-0RAGHQ) |
| Chemical Name | BOC-D-DAB(ALOC)-Oh DCHA |
| IUPAC Name | N-cyclohexylcyclohexanamine;(2R)-4-[(2-methylpropan-2-yl)oxycarbonylamino]-2-(prop-2-enoxycarbonylamino)butanoic acid |
| InChI | InChI=1S/C13H22N2O6.C12H23N/c1-5-8-20-12(19)15-9(10(16)17)6-7-14-11(18)21-13(2,3)4;1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h5,9H,1,6-8H2,2-4H3,(H,14,18)(H,15,19)(H,16,17);11-13H,1-10H2/t9-;/m1./s1 |
| InChI Key | ZWHPSLKRGKRCQH-SBSPUUFOSA-N |
| MDL Number | MFCD02684370 |
| Molecular Formula | C25H45N3O6 |
| Molecular Weight | 483.6413 |
| SMILES | C1CCC(CC1)NC1CCCCC1.C=CCOC(=O)N[C@@H](C(=O)O)CCNC(=O)OC(C)(C)C |
| Synonyms | Dicyclohexylamine (R)-2-(((allyloxy)carbonyl)amino)-4-((tert-butoxycarbonyl)amino)butanoate,
350820-59-6,
CTK8C0040,
DTXSID50743379,
ANW-63926,
AKOS016003832,
AX8117959,
RT-021662,
FT-0773831,
(2R)-4-[(tert-Butoxycarbonyl)amino]-2-({[(prop-2-en-1-yl)oxy]carbonyl}amino)butanoic acid--N-cyclohexylcyclohexanamine (1/1),
Dicyclohexylamine (R)-2-(((allyloxy)carbonyl)amino)-4-((tert-butoxycarbonyl)amino)butyric acid,
|
| Complexity | 505 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 483.331g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 34 |
| Hydrogen Bond Acceptor Count | 7 |
| Hydrogen Bond Donor Count | 4 |
| Isotope Atom Count | 0 |
| Molecular Weight | 483.65g/mol |
| Monoisotopic Mass | 483.331g/mol |
| Rotatable Bond Count | 12 |
| Topological Polar Surface Area | 126A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number