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Boc-D-Asp(OtBu)-OH.DCHA

CAT: 0607-A7740-5000Size: 5 gDry Ice: NoHazardous: No
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CAT#:0607-A7740-5000Size:5 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
200334-95-8
Product Name Alternative
N-cyclohexylcyclohexanamine;(2R)-4-[(2-methylpropan-2-yl)oxy]-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxobutanoic acid
Field of Research
Amino Acids & Building Blocks Boc-Amino Acids and Derivative
Purity
0.98
Smiles
CC(C)(C)OC(=O)CC(C(=O)O)NC(=O)OC(C)(C)C.C1CCC(CC1)NC2CCCCC2
Molecular Formula
C13H23NO6·C12H23N
Molecular Weight
470.6
Shipping Conditions
Blue ice
Storage Conditions
Store at -20°C.

Chemical Information

Boc-D-Asp(OtBu)-OH DCHA
CAS Number200334-95-8
PubChem CID50998699
IUPAC NameN-cyclohexylcyclohexanamine;(2R)-4-[(2-methylpropan-2-yl)oxy]-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxobutanoic acid
Molecular FormulaC25H46N2O6
Molecular Weight470.6
Topological Polar Surface Area114
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count7
Rotatable Bond Count10
Heavy Atom Count33
Formal Charge0
Complexity493
SMILES
CC(C)(C)OC(=O)C[C@H](C(=O)O)NC(=O)OC(C)(C)C.C1CCC(CC1)NC2CCCCC2
InChI
InChI=1S/C13H23NO6.C12H23N/c1-12(2,3)19-9(15)7-8(10(16)17)14-11(18)20-13(4,5)6;1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h8H,7H2,1-6H3,(H,14,18)(H,16,17);11-13H,1-10H2/t8-;/m1./s1
InChIKey
OMYRDWOMNDCKEJ-DDWIOCJRSA-N
Chemical Structure
2D Structure
2D structure of Boc-D-Asp(OtBu)-OH DCHA
CAS: 200334-95-8
CID: 50998699
Formula: C25H46N2O6
MW: 470.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight470.6
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count7
Rotatable Bond Count10
Exact Mass470.33558719
Monoisotopic Mass470.33558719
Topological Polar Surface Area114 Ų
Heavy Atom Count33
Formal Charge0
Complexity493
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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