| CAS Number | 111479-43-7 |
| Catalog Number | AG00HC5U(AGN-PC-0P24S0) |
| Chemical Name | Z-L-Glu(ochex)-oh dcha |
| IUPAC Name | N-cyclohexylcyclohexanamine;(2S)-5-cyclohexyloxy-5-oxo-2-(phenylmethoxycarbonylamino)pentanoic acid |
| InChI | InChI=1S/C19H25NO6.C12H23N/c21-17(26-15-9-5-2-6-10-15)12-11-16(18(22)23)20-19(24)25-13-14-7-3-1-4-8-14;1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h1,3-4,7-8,15-16H,2,5-6,9-13H2,(H,20,24)(H,22,23);11-13H,1-10H2/t16-;/m0./s1 |
| InChI Key | VCTMGGNJABLOMG-NTISSMGPSA-N |
| MDL Number | MFCD19707054 |
| Molecular Formula | C31H48N2O6 |
| Molecular Weight | 544.7226 |
| SMILES | C1CCC(CC1)NC1CCCCC1.OC(=O)[C@@H](NC(=O)OCc1ccccc1)CCC(=O)OC1CCCCC1 |
| Synonyms | Z-L-GLU(OCHEX)-OH DCHA,
111479-43-7,
KM5351,
AKOS026671197,
L-Glutamic acid, N-[(phenylmethoxy)carbonyl]-, 5-cyclohexyl ester,compd. with N-cyclohexylcyclohexanamine (1:1),
|
| Complexity | 585 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 544.351g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 39 |
| Hydrogen Bond Acceptor Count | 7 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 544.733g/mol |
| Monoisotopic Mass | 544.351g/mol |
| Rotatable Bond Count | 12 |
| Topological Polar Surface Area | 114A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
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