| CAS Number | 201275-65-2 |
| Catalog Number | AG00C3KW(AGN-PC-0QS0RB) |
| Chemical Name | Z-D-Thr(tBu)-OH DCHA |
| IUPAC Name | N-cyclohexylcyclohexanamine;(2R,3S)-3-[(2-methylpropan-2-yl)oxy]-2-(phenylmethoxycarbonylamino)butanoic acid |
| InChI | InChI=1S/C16H23NO5.C12H23N/c1-11(22-16(2,3)4)13(14(18)19)17-15(20)21-10-12-8-6-5-7-9-12;1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h5-9,11,13H,10H2,1-4H3,(H,17,20)(H,18,19);11-13H,1-10H2/t11-,13+;/m0./s1 |
| InChI Key | STGGZKHUOOUVBV-STEACBGWSA-N |
| MDL Number | MFCD00153345 |
| Molecular Formula | C28H46N2O5 |
| Molecular Weight | 490.6752 |
| SMILES | C1CCC(CC1)NC1CCCCC1.C[C@H](OC(C)(C)C)[C@@H](NC(=O)OCc1ccccc1)C(O)=O |
| Synonyms | Z-D-THR(TBU)-OH DCHA,
201275-65-2,
Z-D-Thr(tBu)-OH.DCHA,
C16H23NO5.C12H23N,
Z-D-Thr(tBu)-OH . DCHA,
SCHEMBL16756592,
7897AH,
MFCD00153345,
AKOS030573499,
CS-0059838,
FT-0643878,
K-5885,
C-22865,
dicyclohexylamine (2R,3S)-2-(benzyloxycarbonylamino)-3-tert-butoxybutanoate,
N-Cyclohexylcyclohexanamine;(2R,3S)-3-[(2-methylpropan-2-yl)oxy]-2-(phenylmethoxycarbonylamino)butanoic acid,
Z-D-THR -OHDCHA,
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| Complexity | 487 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 2 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 490.341g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 35 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 490.685g/mol |
| Monoisotopic Mass | 490.341g/mol |
| Rotatable Bond Count | 10 |
| Topological Polar Surface Area | 96.9A^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