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Nps-Lys (Boc) -OH·DCHA

CAT: 0926-FN107836-01Size: 2 gDry Ice: NoHazardous: No
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CAT#:0926-FN107836-01Size:2 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2896-69-7
MDL Number
MFCD00237198
Smiles
CC (C) (C) OC (=O) NCCCC[C@@H] (C (=O) O) NSC1=CC=CC=C1[N+] (=O) [O-].C1CCC (CC1) NC2CCCCC2
Molecular Formula
C17H25N3O6S·C12H23N
Molecular Weight
580.78 g/mol
Controlled
No

Chemical Information

N-alpha-(2-Nitrophenylsulfenyl)-N-epsilon-(t-butoxycarbonyl)-L-lysine dicyclohexylammonium salt
CAS Number2896-69-7
PubChem CID102601805
IUPAC NameN-cyclohexylcyclohexanamine;(2S)-6-[(2-methylpropan-2-yl)oxycarbonylamino]-2-[(2-nitrophenyl)sulfanylamino]hexanoic acid
Molecular FormulaC29H48N4O6S
Molecular Weight580.8
Topological Polar Surface Area171
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count9
Rotatable Bond Count13
Heavy Atom Count40
Formal Charge0
Complexity622
SMILES
CC(C)(C)OC(=O)NCCCC[C@@H](C(=O)O)NSC1=CC=CC=C1[N+](=O)[O-].C1CCC(CC1)NC2CCCCC2
InChI
InChI=1S/C17H25N3O6S.C12H23N/c1-17(2,3)26-16(23)18-11-7-6-8-12(15(21)22)19-27-14-10-5-4-9-13(14)20(24)25;1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h4-5,9-10,12,19H,6-8,11H2,1-3H3,(H,18,23)(H,21,22);11-13H,1-10H2/t12-;/m0./s1
InChIKey
GHJNVWLUMCMNGT-YDALLXLXSA-N
Chemical Structure
2D Structure
2D structure of N-alpha-(2-Nitrophenylsulfenyl)-N-epsilon-(t-butoxycarbonyl)-L-lysine dicyclohexylammonium salt
CAS: 2896-69-7
CID: 102601805
Formula: C29H48N4O6S
MW: 580.8
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight580.8
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count9
Rotatable Bond Count13
Exact Mass580.32945644
Monoisotopic Mass580.32945644
Topological Polar Surface Area171 Ų
Heavy Atom Count40
Formal Charge0
Complexity622
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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5-05927Boc-D-Lys(Boc)-OH·DCHA
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