N-{4-[2-(2,4-Diamino-6-Pteridinyl)Ethyl]Benzoyl}-4-Methylene-L-Glutamic Acid

Molecule SVG Image

Properties Simple | Detailed

Formula C21H21N7O5
IUPAC Name (2s)-2-[[4-[2-(2,4-diaminopteridin-6-yl)ethyl]benzoyl]amino]-4-methylene-pentanedioic acid
Molecular Mass 451.435 g·mol−1
Heat of Formation -555.2 ± 16.7 kJ·mol−1
Dipole Moment 1.87 ± 1.08 D
Volume 522.48 Å 3
Surface Area 386.53 Å 2
HOMO Energy -8.93 ± 0.55 eV
LUMO Energy -1.01 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-2-[[4-[2-(2,4-diaminopteridin-6-yl)ethyl]benzoyl]amino]-4-methylene-glutaric acid
  • (2s)-2-[[4-[2-(2,4-diaminopteridin-6-yl)ethyl]benzoyl]amino]-4-methylene-pentanedioic acid
  • (2s)-2-[[4-[2-(2,4-diaminopteridin-6-yl)ethyl]benzoyl]amino]-4-methylidenepentanedioic acid
  • (2s)-2-[[4-[2-(2,4-diaminopteridin-6-yl)ethyl]phenyl]carbonylamino]-4-methylidene-pentanedioic acid
  • (2s)-2-[[[4-[2-(2,4-diamino-6-pteridinyl)ethyl]phenyl]-oxomethyl]amino]-4-methylenepentanedioic acid
InChIKey QCLDSHDOWCMFBV-AWEZNQCLSA-N
QR Code Generate QR Code
Links PubChem ChemSpider
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O N