| CAS Number | 42417-70-9 |
| Catalog Number | AG00CHQS(AGN-PC-0WBO4Y) |
| Chemical Name | Z-N-Me-Asp(OtBu)-OH DCHA |
| IUPAC Name | N-cyclohexylcyclohexanamine;(2S)-2-[methyl(phenylmethoxycarbonyl)amino]-4-[(2-methylpropan-2-yl)oxy]-4-oxobutanoic acid |
| InChI | InChI=1S/C17H23NO6.C12H23N/c1-17(2,3)24-14(19)10-13(15(20)21)18(4)16(22)23-11-12-8-6-5-7-9-12;1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h5-9,13H,10-11H2,1-4H3,(H,20,21);11-13H,1-10H2/t13-;/m0./s1 |
| InChI Key | VTIXCSIGDUSBDL-ZOWNYOTGSA-N |
| MDL Number | MFCD00237355 |
| Molecular Formula | C17H23NO6 |
| Molecular Weight | 337.3676 |
| SMILES | C(C1=CC=CC=C1)OC(=O)N([C@H](C(=O)O)CC(=O)OC(C)(C)C)C |
| Synonyms | Z-N-Me-Asp(OtBu)-OH DCHA,
42417-70-9,
MFCD00237355,
SCHEMBL248887,
Dicyclohexylamine (S)-2-(((benzyloxy)carbonyl)(methyl)amino)-4-(tert-butoxy)-4-oxobutanoate,
VTIXCSIGDUSBDL-ZOWNYOTGSA-N,
AKOS027340228,
ACM42417709,
Z5870,
Z-N-Methyl-L-aspartic acid beta-t-butyl ester dicyclohexylammonium salt,
dicyclohexylamine (S)-2-((benzyloxycarbonyl)(methyl)amino)-4-tert-butoxy-4-oxobutanoate,
L-Asparticacid,N-methyl-N-[(phenylmethoxy)carbonyl]-,4-(1,1-dimethylethyl)ester,
(s)-2-((benzyloxycarbonyl)(methyl)amino)-4-tert-butoxy-4-oxobutanoic acid dicyclohexylammonium salt,
200341-08-8,
Z-N-ME-ASP -OHDCHA,
C17H23NO6.C12H23N,
|
| Complexity | 567 |
| 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 | 11 |
| 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