| CAS Number | 78452-59-2 |
| Catalog Number | AG00G2KJ(AGN-PC-0UDHB1) |
| Chemical Name | Boc-beta-(2-thienyl)-D-Ala-OH DCHA |
| IUPAC Name | N-cyclohexylcyclohexanamine;(2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-thiophen-2-ylpropanoic acid |
| InChI | InChI=1S/C12H17NO4S.C12H23N/c1-12(2,3)17-11(16)13-9(10(14)15)7-8-5-4-6-18-8;1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h4-6,9H,7H2,1-3H3,(H,13,16)(H,14,15);11-13H,1-10H2/t9-;/m1./s1 |
| InChI Key | HTHJUPIDDUMKSU-SBSPUUFOSA-N |
| MDL Number | MFCD00065591 |
| Molecular Formula | C24H40N2O4S |
| Molecular Weight | 452.6504 |
| SMILES | C1CCC(CC1)NC1CCCCC1.O=C(OC(C)(C)C)N[C@@H](C(=O)O)Cc1cccs1 |
| Synonyms | 78452-59-2,
BOC-BETA-(2-THIENYL)-D-ALA-OH DCHA,
Boc--(2-thienyl)-D-Ala-OH DCHA,
Dicyclohexylamine (R)-2-((tert-butoxycarbonyl)amino)-3-(thiophen-2-yl)propanoate,
C12H23N.C12H17NO4S,
6286AH,
KM1916,
MFCD00236874,
AKOS027251038,
BOC-D-2-THIENYLALANINE,
HTHJUPIDDUMKSU-SBSPUUFOSA-N,
Boc-b-(2-thienyl)-D-Ala-OH . DCHA,
|
| Complexity | 430 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 452.271g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 31 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 452.654g/mol |
| Monoisotopic Mass | 452.271g/mol |
| Rotatable Bond Count | 8 |
| Topological Polar Surface Area | 116A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number