Cas no 656232-49-4 (L-Alanine, glycylglycyl-L-alanylglycyl-L-alanylglycylglycyl-)

L-Alanine, glycylglycyl-L-alanylglycyl-L-alanylglycylglycyl- structure
656232-49-4 structure
Product Name:L-Alanine, glycylglycyl-L-alanylglycyl-L-alanylglycylglycyl-
CAS No:656232-49-4
MF:C19H32N8O9
MW:516.505583763123
CID:398109
PubChem ID:71375638
Update Time:2025-04-19

L-Alanine, glycylglycyl-L-alanylglycyl-L-alanylglycylglycyl- Chemical and Physical Properties

Names and Identifiers

    • L-Alanine, glycylglycyl-L-alanylglycyl-L-alanylglycylglycyl-
    • (2S)-2-[[2-[[2-[[(2S)-2-[[2-[[(2S)-2-[[2-[(2-aminoacetyl)amino]acetyl]amino]propanoyl]amino]acetyl]amino]propanoyl]amino]acetyl]amino]acetyl]amino]propanoic acid
    • 656232-49-4
    • Glycylglycyl-L-alanylglycyl-L-alanylglycylglycyl-L-alanine
    • DTXSID80798372
    • Inchi: 1S/C19H32N8O9/c1-9(17(33)23-5-13(29)22-7-15(31)27-11(3)19(35)36)26-16(32)8-24-18(34)10(2)25-14(30)6-21-12(28)4-20/h9-11H,4-8,20H2,1-3H3,(H,21,28)(H,22,29)(H,23,33)(H,24,34)(H,25,30)(H,26,32)(H,27,31)(H,35,36)/t9-,10-,11-/m0/s1
    • InChI Key: BCRJDVOAUUAHHH-DCAQKATOSA-N
    • SMILES: O=C([C@H](C)NC(CNC(CN)=O)=O)NCC(N[C@@H](C)C(NCC(NCC(N[C@H](C(=O)O)C)=O)=O)=O)=O

Computed Properties

  • Exact Mass: 516.22946
  • Monoisotopic Mass: 516.22922463g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 9
  • Hydrogen Bond Acceptor Count: 10
  • Heavy Atom Count: 36
  • Rotatable Bond Count: 15
  • Complexity: 864
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 3
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: -6.8
  • Topological Polar Surface Area: 267?2

Experimental Properties

  • PSA: 267.02
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