| CAS Number | 201294-70-4 |
| Catalog Number | AG00C4MA(AGN-PC-0QS2JD) |
| Chemical Name | Boc-N-Me-Tyr(Ac)-OH DCHA |
| IUPAC Name | (2S)-3-(4-acetyloxyphenyl)-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoic acid;N-cyclohexylcyclohexanamine |
| InChI | InChI=1S/C17H23NO6.C12H23N/c1-11(19)23-13-8-6-12(7-9-13)10-14(15(20)21)18(5)16(22)24-17(2,3)4;1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h6-9,14H,10H2,1-5H3,(H,20,21);11-13H,1-10H2/t14-;/m0./s1 |
| InChI Key | FEFXLODFGOQLTF-UQKRIMTDSA-N |
| MDL Number | MFCD00236868 |
| Molecular Formula | C29H46N2O6 |
| Molecular Weight | 518.6853 |
| SMILES | C1CCC(CC1)NC1CCCCC1.CC(=O)Oc1ccc(cc1)C[C@H](N(C(=O)OC(C)(C)C)C)C(=O)O |
| Synonyms | BOC-N-ME-TYR(AC)-OH DCHA,
201294-70-4,
MFCD00236868,
ACM201294704,
Z5723,
K-5887,
N-alpha-(t-Butyloxycarbonyl)-N-alpha-methyl-O-acetyl-L-tyrosine dicyclohexylamine,
BOC-N-ME-TYR -OHDCHA,
Boc-N-Me-Tyr(Ac)-OH . DCHA,
C17H23NO6.C12H23N,
Dicyclohexylamine (S)-3-(4-acetoxyphenyl)-2-((tert-butoxycarbonyl)(methyl)amino)propanoate,
|
| Complexity | 578 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 518.336g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 37 |
| Hydrogen Bond Acceptor Count | 7 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 518.695g/mol |
| Monoisotopic Mass | 518.336g/mol |
| Rotatable Bond Count | 10 |
| Topological Polar Surface Area | 105A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number