Cas no 90303-36-9 (L-Alanine,N-[N-[(1,1-dimethylethoxy)carbonyl]-L-alanyl]-, monohydrate (9CI))

L-Alanine,N-[N-[(1,1-dimethylethoxy)carbonyl]-L-alanyl]-, monohydrate (9CI) structure
90303-36-9 structure
Product Name:L-Alanine,N-[N-[(1,1-dimethylethoxy)carbonyl]-L-alanyl]-, monohydrate (9CI)
CAS No:90303-36-9
MF:C11H22N2O6
MW:278.302183628082
CID:798200
PubChem ID:57372561
Update Time:2025-04-19

L-Alanine,N-[N-[(1,1-dimethylethoxy)carbonyl]-L-alanyl]-, monohydrate (9CI) Chemical and Physical Properties

Names and Identifiers

    • L-Alanine,N-[N-[(1,1-dimethylethoxy)carbonyl]-L-alanyl]-, monohydrate (9CI)
    • Boc-L-Ala-L-Ala
    • N-{[(2-Methyl-2-propanyl)oxy]carbonyl}-L-alanyl-L-alanine
    • Boc-Ala-Ala-OH.H2O
    • 90303-36-9
    • (tert-Butoxycarbonyl)-L-alanyl-L-alanine monohydrate
    • Inchi: 1S/C11H20N2O5.H2O/c1-6(8(14)12-7(2)9(15)16)13-10(17)18-11(3,4)5;/h6-7H,1-5H3,(H,12,14)(H,13,17)(H,15,16);1H2/t6-,7-;/m0./s1
    • InChI Key: OIDSMSOXNMHHCH-LEUCUCNGSA-N
    • SMILES: O(C(N[C@@H](C)C(N[C@H](C(=O)O)C)=O)=O)C(C)(C)C.O

Computed Properties

  • Exact Mass: 278.14778643g/mol
  • Monoisotopic Mass: 278.14778643g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 4
  • Hydrogen Bond Acceptor Count: 6
  • Heavy Atom Count: 19
  • Rotatable Bond Count: 6
  • Complexity: 335
  • Covalently-Bonded Unit Count: 2
  • Defined Atom Stereocenter Count: 2
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 106?2
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