| CAS Number | 204199-26-8 |
| Catalog Number | AG0029BN(AGN-PC-0WBO3V) |
| Chemical Name | Boc-(3S,4S,5S)-4-amino-3-hydroxy-5-methyl-heptanoic acid DCHA |
| IUPAC Name | N-cyclohexylcyclohexanamine;(3S,4S,5S)-3-hydroxy-5-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]heptanoic acid |
| InChI | InChI=1S/C13H25NO5.C12H23N/c1-6-8(2)11(9(15)7-10(16)17)14-12(18)19-13(3,4)5;1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h8-9,11,15H,6-7H2,1-5H3,(H,14,18)(H,16,17);11-13H,1-10H2/t8-,9-,11-;/m0./s1 |
| InChI Key | YGVVBGRWCYJGSZ-GRIHUTHFSA-N |
| MDL Number | MFCD00800350 |
| Molecular Formula | C25H48N2O5 |
| Molecular Weight | 456.6590 |
| SMILES | C1CCC(CC1)NC1CCCCC1.CCC([C@@H]([C@H](CC(=O)O)O)NC(=O)OC(C)(C)C)C |
| Synonyms | BOC-(3S,4S,5S)-4-AMINO-3-HYDROXY-5-METHYL-HEPTANOIC ACID DCHA,
204199-26-8,
Boc-(3S,4S,5S)-4-amino-3-hydroxy-5-methylheptanoic acid dicyclohexylammonium salt,
C13H25NO5.C12H23N,
6205AH,
MFCD00800350,
K-5961,
BOC- -4-AMINO-3-HYDROXY-5-METHYL-HEPTANOICACIDDCHA,
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| Complexity | 427 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 3 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 456.356g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 32 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 4 |
| Isotope Atom Count | 0 |
| Molecular Weight | 456.668g/mol |
| Monoisotopic Mass | 456.356g/mol |
| Rotatable Bond Count | 10 |
| Topological Polar Surface Area | 108A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
Lot Number