Ethyl N-[5-(7H-Purin-6-Ylsulfanyl)Pentanoyl]Glycinate

Molecule SVG Image

Properties Simple | Detailed

Formula C14H19N5O3S
IUPAC Name ethyl 2-[5-(7h-purin-6-ylsulfanyl)pentanoylamino]acetate
Molecular Mass 337.397 g·mol−1
Heat of Formation -323.0 ± 16.7 kJ·mol−1
Dipole Moment 7.60 ± 1.08 D
Volume 396.95 Å 3
Surface Area 347.65 Å 2
HOMO Energy -8.98 ± 0.55 eV
LUMO Energy -1.14 ± eV
Point Group Symmetry C1
Synonyms
  • 2-[5-(7h-purin-6-ylthio)pentanoylamino]acetic acid ethyl ester
  • 2-[[1-oxo-5-(7h-purin-6-ylthio)pentyl]amino]acetic acid ethyl ester
  • benin
  • butocin
  • butocine
  • ethyl 2-[5-(7h-purin-6-ylsulfanyl)pentanoylamino]ethanoate
  • ethyl n-(1-oxo-5-(1h-purin-6-ylthio)pentyl)glycinate
  • glycine, n-(1-oxo-5-(1h-purin-6-ylthio)pentyl)-, ethyl ester (9ci)
  • glycine, n-(5-(purin-6-ylthio)valeryl)-, ethyl ester (8ci)
  • glycine, n-[1-oxo-5-(1h-purin-6-ylthio)pentyl]-, ethyl ester
  • glycine, n-[5-(purin-6-ylthio)valeryl]-, ethyl ester
  • n-(delta-(6-purinylthio)valeryl)glycine ethyl ester
  • n-[.delta.-(6-purinylthio)valeryl]glycine ethyl ester
CAS Number(s)
  • 22181-94-8
InChIKey GOZRRIWDZQPGMN-UHFFFAOYSA-N
QR Code Generate QR Code
Links PubChem ChemSpider
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H S C O N