| CAS Number | 336182-09-3 |
| Catalog Number | AG00C7TE(AGN-PC-0WBO6D) |
| Chemical Name | Boc-beta-homohyp(bzl)-oh dcha |
| IUPAC Name | N-cyclohexylcyclohexanamine;2-[(2S,4R)-1-[(2-methylpropan-2-yl)oxycarbonyl]-4-phenylmethoxypyrrolidin-2-yl]acetic acid |
| InChI | InChI=1S/C18H25NO5.C12H23N/c1-18(2,3)24-17(22)19-11-15(9-14(19)10-16(20)21)23-12-13-7-5-4-6-8-13;1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h4-8,14-15H,9-12H2,1-3H3,(H,20,21);11-13H,1-10H2/t14-,15+;/m0./s1 |
| InChI Key | GBYMJEWNEXHWOX-LDXVYITESA-N |
| MDL Number | MFCD01862855 |
| Molecular Formula | C30H48N2O5 |
| Molecular Weight | 516.7125 |
| SMILES | N1(C(=O)OC(C)(C)C)C[C@H](OCC2=CC=CC=C2)C[C@H]1CC(=O)O.C1C(NC2CCCCC2)CCCC1 |
| Synonyms | 336182-09-3,
(2S,4R)-1-Boc-4-benzyloxy-pyrrolidine-2-acetic acid (dicyclohexylammonium) salt,
Boc-|A-Homohyp(Bzl)-OH (dicyclohexylammonium) salt,
Boc-O-benzyl-L-A-homohydroxyproline dicyclohexylammonium salt,
Boc-O-benzyl-L-|A-homohydroxyproline (dicyclohexylammonium) salt,
(2S,4R)-1-Boc-4-benzyloxy-pyrrolidine-2-acetic acid dicyclohexylamine salt,
Boc-beta-Homohyp(Bzl)-OH (dicyclohexylammonium) salt, technical, >=85% (HPLC),
GBYMJEWNEXHWOX-LDXVYITESA-N,
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| Complexity | 555 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 2 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 516.356g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 37 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 516.723g/mol |
| Monoisotopic Mass | 516.356g/mol |
| Rotatable Bond Count | 9 |
| Topological Polar Surface Area | 88.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
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