Cas no 95693-76-8 ((2S)-2-{4-(2-{2-amino-4-oxo-1H,4H,5H,6H,7H,8H-pyrido2,3-dpyrimidin-6-yl}ethyl)phenylformamido}pentanedioic acid)

(2S)-2-{4-(2-{2-amino-4-oxo-1H,4H,5H,6H,7H,8H-pyrido2,3-dpyrimidin-6-yl}ethyl)phenylformamido}pentanedioic acid structure
95693-76-8 structure
Product Name:(2S)-2-{4-(2-{2-amino-4-oxo-1H,4H,5H,6H,7H,8H-pyrido2,3-dpyrimidin-6-yl}ethyl)phenylformamido}pentanedioic acid
CAS No:95693-76-8
MF:C21H25N5O6
MW:443.453104734421
MDL:MFCD01725238
CID:807673
PubChem ID:135400183
Update Time:2025-04-19

(2S)-2-{4-(2-{2-amino-4-oxo-1H,4H,5H,6H,7H,8H-pyrido2,3-dpyrimidin-6-yl}ethyl)phenylformamido}pentanedioic acid Chemical and Physical Properties

Names and Identifiers

    • L-Glutamic acid,N-[4-[2-(2-amino-3,4,5,6,7,8-hexahydro-4-oxopyrido[2,3-d]pyrimidin-6-yl)ethyl]benzoyl]-
    • 5,10-Dideazatetrahydrofolic
    • 6-(R)-5,10-dideazatetrahydrofolic acid
    • (2S)-2-{4-(2-{2-amino-4-oxo-1H,4H,5H,6H,7H,8H-pyrido2,3-dpyrimidin-6-yl}ethyl)phenylformamido}pentanedioic acid
    • 5,10-dideazatetrahydrofolate
    • (2S)-2-{[4-(2-{2-amino-4-oxo-1H,4H,5H,6H,7H,8H-pyrido[2,3-d]pyrimidin-6-yl}ethyl)phenyl]formamido}pentanedioic acid
    • N-(4-[2-(2-amino-4-hydroxy-5,6,7,8-tetrahydropyrido[2,3-d]pyrimidin-6-yl)ethyl]benzoyl)-L-glutamic acid
    • 2-{4-[2-(2-Amino-4-oxo-3,4,5,6,7,8-hexahydro-pyrido[2,3-d]pyrimidin-6-yl)-ethyl]-benzoylamino}-pentanedioic acid
    • 95693-76-8
    • (S)-2-(4-(2-((R)-2-amino-4-oxo-1,4,5,6,7,8-hexahydropyrido[2,3-d]pyrimidin-6-yl)ethyl)benzamido)pentanedioic acid
    • (S)-2-{(S)-4-[2-(2-Amino-4-hydroxy-5,6,7,8-tetrahydro-pyrido[2,3-d]pyrimidin-6-yl)-ethyl]-benzoylamino}-pentanedioic acid
    • (S)-2-(4-(2-((R)-2-amino-4-oxo-3,4,5,6,7,8-hexahydropyrido[2,3-d]pyrimidin-6-yl)ethyl)benzamido)pentanedioic acid
    • (2S)-2-[[4-[2-(2-amino-4-oxo-5,6,7,8-tetrahydro-3H-pyrido[2,3-d]pyrimidin-6-yl)ethyl]benzoyl]amino]pentanedioic acid
    • DTXSID101112249
    • (S)-2-{4-[2-((R)-2-Amino-4-oxo-1,4,5,6,7,8-hexahydro-pyrido[2,3-d]pyrimidin-6-yl)-ethyl]-benzoylamino}-pentanedioic acid
    • BDBM50005518
    • DDATHF
    • CHEMBL142806
    • N-[4-[2-(2-Amino-3,4,5,6,7,8-hexahydro-4-oxopyrido[2,3-d]pyrimidin-6-yl)ethyl]benzoyl]-L-glutamic acid
    • 5,10-Dideaza-5,6,7,8-tetrahydrofolic acid
    • (S)-2-{4-[2-(2-Amino-4-oxo-3,4,5,6,7,8-hexahydro-pyrido[2,3-d]pyrimidin-6-yl)-ethyl]-benzoylamino}-pentanedioic acid
    • (S)-2-{(R)-4-[2-((R)-2-Amino-4-oxo-3,4,5,6,7,8-hexahydro-pyrido[2,3-d]pyrimidin-6-yl)-ethyl]-benzoylamino}-pentanedioic acid
    • Pyrido(2,3-d)pyrimidine, L-glutamic acid deriv.
    • ZUQBAQVRAURMCL-CVRLYYSRSA-N
    • L-Glutamic acid, N-(4-(2-(2-amino-1,4,5,6,7,8-hexahydro-4-oxopyrido(2,3-d)pyrimidin-6-yl)ethyl)benzoyl)-
    • N-(4-[2-(2-amino-4-hydroxy-5,6,7,8tetrahydropyrido-[2,3-d]pyrimidin-6-yl)ethyl]benzoyl)-L-glutamic acid
    • (S)-2-{(R)-4-[2-(2-Amino-4-oxo-3,4,5,6,7,8-hexahydro-pyrido[2,3-d]pyrimidin-6-yl)-ethyl]-benzoylamino}-pentanedioic acid
    • (2S)-2-[[4-[2-(2-amino-4-oxo-5,6,7,8-tetrahydro-1H-pyrido[2,3-d]pyrimidin-6-yl)ethyl]benzoyl]amino]pentanedioic acid
    • EN300-24730866
    • SCHEMBL9045915
    • 5,10-dideazatetrahydrofolic acid
    • MDL： MFCD01725238
    • Inchi： 1S/C21H25N5O6/c22-21-25-17-14(19(30)26-21)9-12(10-23-17)2-1-11-3-5-13(6-4-11)18(29)24-15(20(31)32)7-8-16(27)28/h3-6,12,15H,1-2,7-10H2,(H,24,29)(H,27,28)(H,31,32)(H4,22,23,25,26,30)/t12?,15-/m0/s1
    • InChI Key： ZUQBAQVRAURMCL-CVRLYYSRSA-N
    • SMILES： O=C1C2=C(N=C(N)N1)NCC(CCC1C=CC(C(N[C@H](C(=O)O)CCC(=O)O)=O)=CC=1)C2

Computed Properties

  • Exact Mass: 443.18048353g/mol
  • Monoisotopic Mass: 443.18048353g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 7
  • Hydrogen Bond Acceptor Count: 11
  • Heavy Atom Count: 32
  • Rotatable Bond Count: 10
  • Complexity: 831
  • 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: 183?2

(2S)-2-{4-(2-{2-amino-4-oxo-1H,4H,5H,6H,7H,8H-pyrido2,3-dpyrimidin-6-yl}ethyl)phenylformamido}pentanedioic acid Pricemore >>

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