Cas no 109084-11-9 (L-Alaninamide,N-[(1R)-1-carboxy-3-methylbutyl]-L-leucyl-L-leucyl-L-leucyl- (9CI))

L-Alaninamide,N-[(1R)-1-carboxy-3-methylbutyl]-L-leucyl-L-leucyl-L-leucyl- (9CI) structure
109084-11-9 structure
Product Name:L-Alaninamide,N-[(1R)-1-carboxy-3-methylbutyl]-L-leucyl-L-leucyl-L-leucyl- (9CI)
CAS No:109084-11-9
MF:C27H51N5O6
MW:541.723747491837
CID:227319
Update Time:2024-01-26

L-Alaninamide,N-[(1R)-1-carboxy-3-methylbutyl]-L-leucyl-L-leucyl-L-leucyl- (9CI) Chemical and Physical Properties

Names and Identifiers

    • L-Alaninamide,N-[(1R)-1-carboxy-3-methylbutyl]-L-leucyl-L-leucyl-L-leucyl- (9CI)
    • L-Alaninamide,N-(1-carboxy-3-methylbutyl)-L-leucyl-L-leucyl-L-leucyl-, (R)-
    • U 23161
    • L-Alaninamide, N-[(1R)-1-carboxy-3-methylbutyl]-L-leucyl-L-leucyl-L-leucyl- (9CI)
    • Inchi: 1S/C27H51N5O6/c1-14(2)10-19(30-22(27(37)38)13-17(7)8)25(35)32-21(12-16(5)6)26(36)31-20(11-15(3)4)24(34)29-18(9)23(28)33/h14-22,30H,10-13H2,1-9H3,(H2,28,33)(H,29,34)(H,31,36)(H,32,35)(H,37,38)/t18-,19-,20-,21-,22+/m0/s1
    • InChI Key: YKZIBOAYRUMUSL-KNOXWWKRSA-N
    • SMILES: C(N)(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)N[C@@H](C(O)=O)CC(C)C

Computed Properties

  • Exact Mass: 272.08309

Experimental Properties

  • Density: 1.084±0.06 g/cm3(Predicted)
  • Boiling Point: 807.0±65.0 °C(Predicted)
  • PSA: 52.54
  • pka: 2.26±0.21(Predicted)
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