| CAS Number | 204192-31-4 |
| Catalog Number | AG0029BW(AGN-PC-0WBO3W) |
| Chemical Name | Boc-(3S,4S)-4-amino-3-hydroxy-5-methyl-hexanoic acid dcha |
| IUPAC Name | N-cyclohexylcyclohexanamine;(3S,4S)-3-hydroxy-5-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoic acid |
| InChI | InChI=1S/C12H23NO5.C12H23N/c1-7(2)10(8(14)6-9(15)16)13-11(17)18-12(3,4)5;1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h7-8,10,14H,6H2,1-5H3,(H,13,17)(H,15,16);11-13H,1-10H2/t8-,10-;/m0./s1 |
| InChI Key | VGDOSYNRNNWING-GNAZCLTHSA-N |
| MDL Number | MFCD00270192 |
| Molecular Formula | C24H46N2O5 |
| Molecular Weight | 442.6324 |
| SMILES | C1CCC(CC1)[NH2+]C1CCCCC1.[O-]C(=O)C[C@@H]([C@H](C(C)C)NC(=O)OC(C)(C)C)O |
| Synonyms | 204192-31-4,
Boc-(3S,4S)-4-amino-3-hydroxy-5-methylhexanoic acid dicyclohexylammonium salt,
BOC-(3S,4S)-4-AMINO-3-HYDROXY-5-METHYL-HEXANOIC ACID DCHA,
AC1MBSFD,
CTK8E6955,
DTXSID50373150,
6204AH,
MFCD00270192,
AKOS025294855,
RT-011588,
K-5956,
(3S,4S)-4-[(tert-Butoxycarbonyl)amino]-3-hydroxy-5-methylhexanoic acid--N-cyclohexylcyclohexanamine (1/1),
N-cyclohexylcyclohexanamine; (3S,4S)-3-hydroxy-5-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoic acid,
C12H23N.C12H23NO5,
CID2755937,
CID 2755937,
BOC- -4-AMINO-3-HYDROXY-5-METHYL-HEXANOICACIDDCHA,
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| Complexity | 411 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 2 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 442.341g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 31 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 4 |
| Isotope Atom Count | 0 |
| Molecular Weight | 442.641g/mol |
| Monoisotopic Mass | 442.341g/mol |
| Rotatable Bond Count | 9 |
| Topological Polar Surface Area | 108A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
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