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Boc-L-Pra-OH (DCHA)
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Boc-L-Pra-OH (DCHA)

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Catalog NumberCCR63039496
CAS63039-49-6
Structure
SynonymsBoc-L-propraglycine dicyclohexylammonium salt
IUPAC NameN-Cyclohexylcyclohexanamine;(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]pent-4-ynoic acid
Molecular Weight394.55
Molecular FormulaC22H38N2O4
Canonical SMILESCC(C)(C)OC(=O)NC(CC#C)C(=O)O.C1CCC(CC1)NC2CCCCC2
InChIInChI=1S/C12H23N.C10H15NO4/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;1-5-6-7(8(12)13)11-9(14)15-10(2,3)4/h11-13H,1-10H2;1,7H,6H2,2-4H3,(H,11,14)(H,12,13)/t;7-/m.0/s1
InChI KeyRUFMNUDFZKNXCE-ZLTKDMPESA-N
ApplicationCuAAC & Thiol-Yne & Spontaneous Amino-Yne Click Reaction
Storage0 °C
Complexity410
Exact Mass394.28315770
Isomeric SMILESCC(C)(C)OC(=O)N[C@@H](CC#C)C(=O)O.C1CCC(CC1)NC2CCCCC2
Monoisotopic Mass394.28315770
Topological Polar Surface Area87.7 Ų

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