Cas no 4811-37-4 (Glycine,N-[N-[N-[N-[(phenylmethoxy)carbonyl]glycyl]glycyl]glycyl]-, ethyl ester (9CI))

Glycine,N-[N-[N-[N-[(phenylmethoxy)carbonyl]glycyl]glycyl]glycyl]-, ethyl ester (9CI) structure
4811-37-4 structure
Product Name:Glycine,N-[N-[N-[N-[(phenylmethoxy)carbonyl]glycyl]glycyl]glycyl]-, ethyl ester (9CI)
CAS No:4811-37-4
MF:C18H24N4O7
MW:408.405764579773
CID:334293
PubChem ID:232387
Update Time:2025-04-19

Glycine,N-[N-[N-[N-[(phenylmethoxy)carbonyl]glycyl]glycyl]glycyl]-, ethyl ester (9CI) Chemical and Physical Properties

Names and Identifiers

    • Glycine,N-[N-[N-[N-[(phenylmethoxy)carbonyl]glycyl]glycyl]glycyl]-, ethyl ester (9CI)
    • ethyl 2-[[2-[[2-[(2-phenylmethoxycarbonylaminoacetyl)amino]acetyl]amin o]acetyl]amino]acetate
    • Benzyloxycarbonyl-Gly-Gly-Gly-Gly-O-Et
    • Benzyloxycarbonyl-triglycyl-glycin-ethylester
    • DTXSID30964005
    • N-(2-Ethoxy-2-oxoethyl)-3,6,9-trihydroxy-1-phenyl-2-oxa-4,7,10-triazadodeca-3,6,9-trien-12-imidic acid
    • NSC-29723
    • NSC29723
    • 4811-37-4
    • Inchi: 1S/C18H24N4O7/c1-2-28-17(26)11-21-15(24)9-19-14(23)8-20-16(25)10-22-18(27)29-12-13-6-4-3-5-7-13/h3-7H,2,8-12H2,1H3,(H,19,23)(H,20,25)(H,21,24)(H,22,27)
    • InChI Key: CJFWEUVSVZPMKC-UHFFFAOYSA-N
    • SMILES: O(C(NCC(NCC(NCC(NCC(=O)OCC)=O)=O)=O)=O)CC1C=CC=CC=1

Computed Properties

  • Exact Mass: 408.16462
  • Monoisotopic Mass: 408.164
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 4
  • Hydrogen Bond Acceptor Count: 7
  • Heavy Atom Count: 29
  • Rotatable Bond Count: 13
  • Complexity: 577
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: -0.2
  • Topological Polar Surface Area: 152?2

Experimental Properties

  • Density: 1.272
  • Boiling Point: 765.5°Cat760mmHg
  • Flash Point: 416.7°C
  • Refractive Index: 1.536
  • PSA: 151.93
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