Cas no 124656-55-9 (L-Glutamic acid,N-[4-[4-(2,6-diamino-1,4-dihydro-4-oxo-5-pyrimidinyl)butyl]benzoyl]-)

L-Glutamic acid,N-[4-[4-(2,6-diamino-1,4-dihydro-4-oxo-5-pyrimidinyl)butyl]benzoyl]- structure
124656-55-9 structure
Product Name:L-Glutamic acid,N-[4-[4-(2,6-diamino-1,4-dihydro-4-oxo-5-pyrimidinyl)butyl]benzoyl]-
CAS No:124656-55-9
MF:C20H25N5O6
MW:431.442404508591
CID:1217348
PubChem ID:135884475
Update Time:2025-04-20

L-Glutamic acid,N-[4-[4-(2,6-diamino-1,4-dihydro-4-oxo-5-pyrimidinyl)butyl]benzoyl]- Chemical and Physical Properties

Names and Identifiers

    • L-Glutamic acid,N-[4-[4-(2,6-diamino-1,4-dihydro-4-oxo-5-pyrimidinyl)butyl]benzoyl]-
    • N-[4-[4-[(2,6-Diamino-1,4-dihydro-4-oxopyrimidin)-5-yl]butyl]benzoyl]-L-glutamic acid
    • 662U88
    • 5,10-Dideazaacyclotetrahydrofolic acid
    • N-[4-[4-[(2,6-Diamino-4-oxo-3,4-dihydropyrimidin)-5-yl]butyl]benzoyl]-L-glutamic acid
    • N-(4-(4-((2,6-Diamino-1,4-dihydro-4-oxopyrimidin)-5-yl)butyl)benzoyl)-L-glutamic acid
    • L-Glutamic acid, N-(4-(4-(2,6-diamino-1,4-dihydro-4-oxo-5-pyrimidinyl)butyl)benzoyl)-
    • (2S)-2-[[4-[4-(2,4-diamino-6-oxo-1H-pyrimidin-5-yl)butyl]benzoyl]amino]pentanedioic acid
    • SCHEMBL9339115
    • 124656-55-9
    • (2S)-2-((4-(4-(2,6-Bis(azanyl)-4-oxidanylidene-1H-pyrimidin-5-yl)butyl)phenyl)carbonylamino)pentanedioic acid
    • LNUHUIPUTGDPDG-AWEZNQCLSA-N
    • 7-Desmethylene-DDATHF
    • UNII-Y2BS5U6OD9
    • N-(4-[4-(2,4-diamino-6-hydroxypyrimidin-5-yl)-butyl]benzoyl)-L-glutamic acid
    • dideazaacyclotetrahydrofolic acid
    • BDBM50422000
    • CHEMBL13705
    • Y2BS5U6OD9
    • (2S)-2-[[4-[4-(2,6-diamino-4-oxo-1H-pyrimidin-5-yl)butyl]benzoyl]amino]pentanedioic acid
    • 7-DM-DDATHF
    • Inchi: 1S/C20H25N5O6/c21-16-13(18(29)25-20(22)24-16)4-2-1-3-11-5-7-12(8-6-11)17(28)23-14(19(30)31)9-10-15(26)27/h5-8,14H,1-4,9-10H2,(H,23,28)(H,26,27)(H,30,31)(H5,21,22,24,25,29)/t14-/m0/s1
    • InChI Key: LNUHUIPUTGDPDG-AWEZNQCLSA-N
    • SMILES: O=C(C1C=CC(=CC=1)CCCCC1C(NC(N)=NC=1N)=O)N[C@H](C(=O)O)CCC(=O)O

Computed Properties

  • Exact Mass: 431.18048353g/mol
  • Monoisotopic Mass: 431.18048353g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 6
  • Hydrogen Bond Acceptor Count: 8
  • Heavy Atom Count: 31
  • Rotatable Bond Count: 11
  • Complexity: 770
  • 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
  • XLogP3: 0.3
  • Topological Polar Surface Area: 197?2
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