Cas no 77426-96-1 (N-[(tert-butoxy)carbonyl]-L-aspartic acid, compound with dicyclohexylamine (1:2))

N-[(tert-butoxy)carbonyl]-L-aspartic acid, compound with dicyclohexylamine (1:2) structure
77426-96-1 structure
Product Name:N-[(tert-butoxy)carbonyl]-L-aspartic acid, compound with dicyclohexylamine (1:2)
CAS No:77426-96-1
MF:C33H61N3O6
MW:595.85395026207
CID:1785021
PubChem ID:44150768
Update Time:2025-04-21

N-[(tert-butoxy)carbonyl]-L-aspartic acid, compound with dicyclohexylamine (1:2) Chemical and Physical Properties

Names and Identifiers

    • N-[(tert-butoxy)carbonyl]-L-aspartic acid, compound with dicyclohexylamine (1:2)
    • N-((tert-Butoxy)carbonyl)-L-aspartic acid, compound with dicyclohexylamine (1:2)
    • N-cyclohexylcyclohexanamine,(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanedioic acid
    • DTXCID80150633
    • 77426-96-1
    • DTXSID60228142
    • EINECS 278-685-2
    • Inchi: 1S/2C12H23N.C9H15NO6/c2*1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;1-9(2,3)16-8(15)10-5(7(13)14)4-6(11)12/h2*11-13H,1-10H2;5H,4H2,1-3H3,(H,10,15)(H,11,12)(H,13,14)/t;;5-/m..0/s1
    • InChI Key: UBZDZIIQOUVMHU-BYOYUIHVSA-N
    • SMILES: O(C(N[C@H](C(=O)O)CC(=O)O)=O)C(C)(C)C.N(C1CCCCC1)C1CCCCC1.N(C1CCCCC1)C1CCCCC1

Computed Properties

  • Exact Mass: 595.45603667g/mol
  • Monoisotopic Mass: 595.45603667g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 5
  • Hydrogen Bond Acceptor Count: 8
  • Heavy Atom Count: 42
  • Rotatable Bond Count: 10
  • Complexity: 409
  • Covalently-Bonded Unit Count: 3
  • Defined Atom Stereocenter Count: 1
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 137?2

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