Cas no 143436-91-3 (L-Glutamic acid,N-[4-[2-(2-amino-1,4-dihydro-4-oxo-6-quinazolinyl)-1-formylethyl]benzoyl]-(9CI))

L-Glutamic acid,N-[4-[2-(2-amino-1,4-dihydro-4-oxo-6-quinazolinyl)-1-formylethyl]benzoyl]-(9CI) structure
143436-91-3 structure
Product Name:L-Glutamic acid,N-[4-[2-(2-amino-1,4-dihydro-4-oxo-6-quinazolinyl)-1-formylethyl]benzoyl]-(9CI)
CAS No:143436-91-3
MF:C23H22N4O7
MW:466.443385601044
CID:143054
PubChem ID:135485620
Update Time:2025-04-19

L-Glutamic acid,N-[4-[2-(2-amino-1,4-dihydro-4-oxo-6-quinazolinyl)-1-formylethyl]benzoyl]-(9CI) Chemical and Physical Properties

Names and Identifiers

    • L-Glutamic acid,N-[4-[2-(2-amino-1,4-dihydro-4-oxo-6-quinazolinyl)-1-formylethyl]benzoyl]-(9CI)
    • (2S)-2-[[4-[1-(2-amino-4-oxo-1H-quinazolin-6-yl)-3-oxopropan-2-yl]benzoyl]amino]pentanedioic acid
    • 10-Formyl-5,8-10-trideazafolic acid
    • 10-Formyl-tdaf
    • N-{4-[1-(2-amino-4-oxo-1,4-dihydroquinazolin-6-yl)-3-oxopropan-2-yl]benzoyl}-L-glutamic acid
    • N-{4-[1-(4-Hydroxy-2-imino-1,2-dihydroquinazolin-6-yl)-3-oxopropan-2-yl]benzoyl}glutamic acid
    • DTXSID40931884
    • 143436-91-3
    • (2S)-2-[[4-[1-(2-amino-4-oxo-3H-quinazolin-6-yl)-3-oxopropan-2-yl]benzoyl]amino]pentanedioic acid
    • FTDF
    • Inchi: 1S/C23H22N4O7/c24-23-26-17-6-1-12(10-16(17)21(32)27-23)9-15(11-28)13-2-4-14(5-3-13)20(31)25-18(22(33)34)7-8-19(29)30/h1-6,10-11,15,18H,7-9H2,(H,25,31)(H,29,30)(H,33,34)(H3,24,26,27,32)/t15?,18-/m0/s1
    • InChI Key: QUTYGDYGQXUSRV-PKHIMPSTSA-N
    • SMILES: O=CC(C1C=CC(C(N[C@H](C(=O)O)CCC(=O)O)=O)=CC=1)CC1C=CC2=C(C(NC(N)=N2)=O)C=1

Computed Properties

  • Exact Mass: 466.149
  • Monoisotopic Mass: 466.149
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 5
  • Hydrogen Bond Acceptor Count: 7
  • Heavy Atom Count: 34
  • Rotatable Bond Count: 10
  • Complexity: 837
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 1
  • Undefined Atom Stereocenter Count : 1
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 0.3
  • Topological Polar Surface Area: 188?2

Experimental Properties

  • Density: 1.51
  • Boiling Point: °Cat760mmHg
  • Flash Point: °C
  • Refractive Index: 1.689
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