Cas no 20347-80-2 (L-Alanine,glycylglycylglycylglycyl-)

L-Alanine,glycylglycylglycylglycyl- structure
20347-80-2 structure
Product Name:L-Alanine,glycylglycylglycylglycyl-
CAS No:20347-80-2
MF:C11H19N5O6
MW:317.298462152481
CID:289884
PubChem ID:90470128
Update Time:2025-04-19

L-Alanine,glycylglycylglycylglycyl- Chemical and Physical Properties

Names and Identifiers

    • L-Alanine,glycylglycylglycylglycyl-
    • 2-[[2-[[2-[[2-[(2-aminoacetyl)amino]acetyl]amino]acetyl]amino]acetyl]amino]propanoic acid
    • L-Alanine, glycylglycylglycylglycyl-
    • 20347-80-2
    • (S)-14-Amino-2-methyl-4,7,10,13-tetraoxo-3,6,9,12-tetraazatetradecan-1-oic acid
    • H-GLY-GLY-GLY-GLY-ALA-OH
    • Inchi: 1S/C11H19N5O6/c1-6(11(21)22)16-10(20)5-15-9(19)4-14-8(18)3-13-7(17)2-12/h6H,2-5,12H2,1H3,(H,13,17)(H,14,18)(H,15,19)(H,16,20)(H,21,22)/t6-/m0/s1
    • InChI Key: NXVQLROTKQDHIA-LURJTMIESA-N
    • SMILES: O=C(CNC(CNC(CNC(CN)=O)=O)=O)N[C@H](C(=O)O)C

Computed Properties

  • Exact Mass: 317.13400
  • Monoisotopic Mass: 317.134
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 6
  • Hydrogen Bond Acceptor Count: 7
  • Heavy Atom Count: 22
  • Rotatable Bond Count: 9
  • Complexity: 452
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 1
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 180A^2
  • XLogP3: -5.6

Experimental Properties

  • Density: 1.364
  • Boiling Point: 905.6°Cat760mmHg
  • Flash Point: 501.5°C
  • Refractive Index: 1.536
  • PSA: 179.72000
  • LogP: -1.85310
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