N-(4-{[(2,4-Diaminofuro[2,3-D]Pyrimidin-5-Yl)Methyl](Methyl)Amino}Benzoyl)-L-Glutamic Acid

Molecule SVG Image

Properties Simple | Detailed

Formula C20H23N6O6
IUPAC Name (2s)-2-[[4-[(2,4-diaminofuro[2,3-d]pyrimidine-1,3-diium-4a-id-5-yl)methyl-methyl-amino]benzoyl]amino]pentanedioic acid
Molecular Mass 443.433 g·mol−1
Heat of Formation -783.0 ± 16.7 kJ·mol−1
Dipole Moment 5.56 ± 1.08 D
Volume 498.71 Å 3
Surface Area 430.11 Å 2
HOMO Energy -8.72 ± 0.55 eV
LUMO Energy -0.79 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-2-[[4-[(2,4-diaminofuro[5,4-d]pyrimidin-5-yl)methyl-methyl-amino]benzoyl]amino]glutaric acid
  • (2s)-2-[[4-[(2,4-diaminofuro[5,4-d]pyrimidin-5-yl)methyl-methyl-amino]benzoyl]amino]pentanedioic acid
  • (2s)-2-[[4-[(2,4-diaminofuro[5,4-d]pyrimidin-5-yl)methyl-methyl-amino]phenyl]carbonylamino]pentanedioic acid
  • (2s)-2-[[4-[(2,4-diaminofuro[5,4-d]pyrimidin-5-yl)methyl-methylamino]benzoyl]amino]pentanedioic acid
  • (2s)-2-[[[4-[(2,4-diamino-5-furo[5,4-d]pyrimidinyl)methyl-methylamino]phenyl]-oxomethyl]amino]pentanedioic acid
  • 2-[(1-{4-[(2,4-diamino-furo[2,3-d]pyrimidin-5-ylmethyl)-methyl-amino]-phenyl}-methanoyl)-amino]-l-glutamic acid
  • coe
  • dpmmabg
  • furo[2,3d]pyrimidine antifolate
  • l-glutamic acid, n-(4-(((2,4-diaminofuro(2,3-d)pyrimidin-5-yl)methyl)methylamino)benzoyl)-
  • mot
  • n-(4-(((2,4-diaminofuro(2,3-d)pyrimidin-5-yl)methyl)methylamino)benzoyl)-l-glutamic acid
  • n-(4-(n-((2,4-diamino-furo(2,3-d)pyrimidin-5-yl)methyl)methylamino)benzoyl)glutamic acid
  • n-[4-[(2,4-diaminofuro[2,3d]pyrimidin-5-yl)methyl]methylamino]-benzoyl]-l-glutamate
CAS Number(s)
  • 156595-85-6
InChIKey WXINNGCGSCFUCR-ZDUSSCGKSA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O N