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Boc-L-Nle-OH*DCHA

CAT: 0024-sc-293862Size: 5 gDry Ice: NoHazardous: No
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CAT#:0024-sc-293862Size:5 g
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CAS Number
21947-32-0

Chemical Information

Boc-nle-oh.dcha
CAS Number21947-32-0
PubChem CID53229901
IUPAC NameN-cyclohexylcyclohexanamine;(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoic acid
Molecular FormulaC23H44N2O4
Molecular Weight412.6
Topological Polar Surface Area87.7
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count9
Heavy Atom Count29
Formal Charge0
Complexity361
SMILES
CCCC[C@@H](C(=O)O)NC(=O)OC(C)(C)C.C1CCC(CC1)NC2CCCCC2
InChI
InChI=1S/C12H23N.C11H21NO4/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;1-5-6-7-8(9(13)14)12-10(15)16-11(2,3)4/h11-13H,1-10H2;8H,5-7H2,1-4H3,(H,12,15)(H,13,14)/t;8-/m.0/s1
InChIKey
BFEVJIUEBDZIJQ-WDBKTSHHSA-N
Chemical Structure
2D Structure
2D structure of Boc-nle-oh.dcha
CAS: 21947-32-0
CID: 53229901
Formula: C23H44N2O4
MW: 412.6
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight412.6
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count9
Exact Mass412.33010789
Monoisotopic Mass412.33010789
Topological Polar Surface Area87.7 Ų
Heavy Atom Count29
Formal Charge0
Complexity361
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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