N-(4-{[(2,4-Diaminopyrido[2,3-D]Pyrimidin-6-Yl)Methyl](2-Propyn-1-Yl)Amino}Benzoyl)-L-Glutamic Acid

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Properties Simple | Detailed

Formula C23H23N7O5
IUPAC Name (2s)-2-[[4-[(2,4-diaminopyrido[2,3-d]pyrimidin-6-yl)methyl-prop-2-ynyl-amino]benzoyl]amino]pentanedioic acid
Molecular Mass 477.473 g·mol−1
Heat of Formation -335.5 ± 16.7 kJ·mol−1
Dipole Moment 11.99 ± 1.08 D
Volume 534.08 Å 3
Surface Area 468.36 Å 2
HOMO Energy -8.60 ± 0.55 eV
LUMO Energy -1.06 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-2-[[4-[(2,4-diaminopyrido[6,5-d]pyrimidin-6-yl)methyl-prop-2-ynyl-amino]benzoyl]amino]pentanedioic acid
  • (2s)-2-[[4-[(2,4-diaminopyrido[6,5-d]pyrimidin-6-yl)methyl-prop-2-ynyl-amino]phenyl]carbonylamino]pentanedioic acid
  • (2s)-2-[[4-[(2,4-diaminopyrido[6,5-d]pyrimidin-6-yl)methyl-prop-2-ynylamino]benzoyl]amino]pentanedioic acid
  • (2s)-2-[[4-[(2,4-diaminopyrido[6,5-d]pyrimidin-6-yl)methyl-propargyl-amino]benzoyl]amino]glutaric acid
  • (2s)-2-[[[4-[(2,4-diamino-6-pyrido[6,5-d]pyrimidinyl)methyl-prop-2-ynylamino]phenyl]-oxomethyl]amino]pentanedioic acid
  • 10-pdapt
  • 10-propargyl-5-deazaaminopterin analog of folic acid
  • l-glutamic acid, n-(4-(((2,4-diaminopyrido(2,3-d)pyrimidin-6-yl)methyl)-2-propynylamino)benzoyl)-
CAS Number(s)
  • 135423-84-6
InChIKey IOYMKUPOYSMDNI-KRWDZBQOSA-N
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