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Boc-metyr(me)-oh dcha

CAS No.:
135103-27-4
Catalog Number:
AG009B13
Molecular Formula:
C28H46N2O5
Molecular Weight:
490.6752
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
97%
In Stock USA
United States
$74
- +
5g
97%
In Stock USA
United States
$288
- +
25g
97%
In Stock USA
United States
$882
- +
Product Description
Catalog Number:
AG009B13
Chemical Name:
Boc-metyr(me)-oh dcha
CAS Number:
135103-27-4
Molecular Formula:
C28H46N2O5
Molecular Weight:
490.6752
MDL Number:
MFCD00153394
IUPAC Name:
N-cyclohexylcyclohexanamine;(2S)-3-(4-methoxyphenyl)-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoic acid
InChI:
InChI=1S/C16H23NO5.C12H23N/c1-16(2,3)22-15(20)17(4)13(14(18)19)10-11-6-8-12(21-5)9-7-11;1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h6-9,13H,10H2,1-5H3,(H,18,19);11-13H,1-10H2/t13-;/m0./s1
InChI Key:
WLGWIMOMDIMBKW-ZOWNYOTGSA-N
SMILES:
C1CCC(CC1)NC1CCCCC1.COc1ccc(cc1)C[C@H](N(C(=O)OC(C)(C)C)C)C(=O)O
Properties
Complexity:
499  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
1  
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:
2  
Isotope Atom Count:
0
Molecular Weight:
490.685g/mol
Monoisotopic Mass:
490.341g/mol
Rotatable Bond Count:
9  
Topological Polar Surface Area:
88.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties