Cas no 111113-75-8 (L-Glutamic acid,N-[4-[[2-(2-amino-1,4,5,6,7,8-hexahydro-4-oxopyrido[3,2-d]pyrimidin-6-yl)ethyl]amino]benzoyl]-,(R)- (9CI))

L-Glutamic acid,N-[4-[[2-(2-amino-1,4,5,6,7,8-hexahydro-4-oxopyrido[3,2-d]pyrimidin-6-yl)ethyl]amino]benzoyl]-,(R)- (9CI) structure
111113-75-8 structure
Product Name:L-Glutamic acid,N-[4-[[2-(2-amino-1,4,5,6,7,8-hexahydro-4-oxopyrido[3,2-d]pyrimidin-6-yl)ethyl]amino]benzoyl]-,(R)- (9CI)
CAS No:111113-75-8
MF:C21H26N6O6
MW:458.467744350433
CID:142651
PubChem ID:135625339
Update Time:2025-04-19

L-Glutamic acid,N-[4-[[2-(2-amino-1,4,5,6,7,8-hexahydro-4-oxopyrido[3,2-d]pyrimidin-6-yl)ethyl]amino]benzoyl]-,(R)- (9CI) Chemical and Physical Properties

Names and Identifiers

    • L-Glutamic acid,N-[4-[[2-(2-amino-1,4,5,6,7,8-hexahydro-4-oxopyrido[3,2-d]pyrimidin-6-yl)ethyl]amino]benzoyl]-,(R)- (9CI)
    • 2-[[4-[2-(2-amino-4-oxo-5,6,7,8-tetrahydro-1H-pyrido[3,2-d]pyrimidin-6-yl)ethylamino]benzoyl]amino]pentanedioic acid
    • 5,6,7,8-tetrahydro-8-deazahomofolic acid
    • L-Glutamic acid,N-[4-[[2-(2-amino-1,4,5,6,7,8-hexahydro-4-oxopyrido[3,2-d]pyrimidin-6-yl)ethyl...
    • (R)-N-(4-((2-(2-Amino-1,4,5,6,7,8-hexahydro-4-oxopyrido(3,2-d)pyrimidin-6-yl)ethyl)amino)benzoyl)-L-glutamic acid
    • 5,6,7,8-Tdfa
    • L-Glutamic acid, N-(4-((2-(2-amino-1,4,5,6,7,8-hexahydro-4-oxopyrido(3,2-d)pyrimidin-6-yl)ethyl)amino)benzoyl)-, (R)-
    • N-[4-({2-[(6R)-2-amino-4-oxo-1,4,5,6,7,8-hexahydropyrido[3,2-d]pyrimidin-6-yl]ethyl}amino)benzoyl]-L-glutamic acid
    • (2S)-2-[[4-[2-[(6R)-2-amino-4-oxo-5,6,7,8-tetrahydro-3H-pyrido[3,2-d]pyrimidin-6-yl]ethylamino]benzoyl]amino]pentanedioic acid
    • AKOS040746485
    • DTXSID10912004
    • 111113-75-8
    • (2S)-2-[[4-[2-[(6R)-2-amino-4-oxo-5,6,7,8-tetrahydro-1H-pyrido[3,2-d]pyrimidin-6-yl]ethylamino]benzoyl]amino]pentanedioic acid
    • N-(4-{[2-(4-Hydroxy-2-imino-1,2,5,6,7,8-hexahydropyrido[3,2-d]pyrimidin-6-yl)ethyl]amino}benzoyl)glutamic acid
    • Inchi： 1S/C21H26N6O6/c22-21-26-14-6-5-13(24-17(14)19(31)27-21)9-10-23-12-3-1-11(2-4-12)18(30)25-15(20(32)33)7-8-16(28)29/h1-4,13,15,23-24H,5-10H2,(H,25,30)(H,28,29)(H,32,33)(H3,22,26,27,31)/t13-,15+/m1/s1
    • InChI Key： KWOGIKPULGQYDN-HIFRSBDPSA-N
    • SMILES： O=C1C2=C(CC[C@H](CCNC3C=CC(C(N[C@H](C(=O)O)CCC(=O)O)=O)=CC=3)N2)N=C(N)N1

Computed Properties

  • Exact Mass: 458.19138257g/mol
  • Monoisotopic Mass: 458.19138257g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 7
  • Hydrogen Bond Acceptor Count: 9
  • Heavy Atom Count: 33
  • Rotatable Bond Count: 10
  • Complexity: 848
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 2
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 0.2
  • Topological Polar Surface Area: 195?2

L-Glutamic acid,N-[4-[[2-(2-amino-1,4,5,6,7,8-hexahydro-4-oxopyrido[3,2-d]pyrimidin-6-yl)ethyl]amino]benzoyl]-,(R)- (9CI) Related Literature

111113-75-8 (L-Glutamic acid,N-[4-[[2-(2-amino-1,4,5,6,7,8-hexahydro-4-oxopyrido[3,2-d]pyrimidin-6-yl)ethyl]amino]benzoyl]-,(R)- (9CI)) Related Products

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