| CAS Number | 250375-08-7 |
| Catalog Number | AG00BHX4(AGN-PC-0WOHMJ) |
| Chemical Name | Boc-(Me)Thr(Bzl)-OH Cha |
| IUPAC Name | cyclohexanamine;(2S,3R)-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-phenylmethoxybutanoic acid |
| InChI | InChI=1S/C17H25NO5.C6H13N/c1-12(22-11-13-9-7-6-8-10-13)14(15(19)20)18(5)16(21)23-17(2,3)4;7-6-4-2-1-3-5-6/h6-10,12,14H,11H2,1-5H3,(H,19,20);6H,1-5,7H2/t12-,14+;/m1./s1 |
| InChI Key | CULYTHDISPZXCH-OJMBIDBESA-N |
| MDL Number | MFCD06795764 |
| Molecular Formula | C23H38N2O5 |
| Molecular Weight | 422.5582 |
| SMILES | C[C@H]([C@H](N(C(=O)OC(C)(C)C)C)C(=O)O)OCc1ccccc1.NC1CCCCC1 |
| Synonyms | boc-methr(bzl)-oh cha,
Boc-O-benzyl-N-methyl-L-threonine cyclohexylamine,
250375-08-7,
TMA041,
MFCD06795764,
Boc-N-methyl-O-benzyl-L-threonine CHA salt,
N-alpha-(t-Butyloxycarbonyl)-N-alpha-methyl-L-O-benzyl-threonine cyclohexylamine,
C17H25NO5,
64263-80-5,
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| Complexity | 444 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 2 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 422.278g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 30 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 422.566g/mol |
| Monoisotopic Mass | 422.278g/mol |
| Rotatable Bond Count | 8 |
| Topological Polar Surface Area | 102A^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