(2S,3As,7As)-1-[(2S)-2-{[(1S)-1-Carboxybutyl]Amino}Propanoyl]Octahydro-1H-Indole-2-Carboxylic Acid

Molecule SVG Image

Properties Simple | Detailed

Formula C17H28N2O5
IUPAC Name (2s,3as,7as)-1-[(2s)-2-[[(1s)-1-carboxybutyl]amino]propanoyl]-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxylic acid
Molecular Mass 340.415 g·mol−1
Heat of Formation -1082.1 ± 16.7 kJ·mol−1
Dipole Moment 4.56 ± 1.08 D
Volume 419.72 Å 3
Surface Area 339.44 Å 2
HOMO Energy -9.41 ± 0.55 eV
LUMO Energy 0.55 ± eV
Point Group Symmetry C1
Synonyms
  • (2s,3as,7as)-1-((s)-n-((s)-1-carboxybutyl)alanyl)hexahydro-2-indolinecarboxylic acid
  • (2s,3as,7as)-1-[(2s)-2-[[(1s)-1-carboxybutyl]amino]-1-oxopropyl]-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxylic acid
  • (2s,3as,7as)-1-[(2s)-2-[[(1s)-1-carboxybutyl]amino]propanoyl]-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxylic acid
  • (2s,3as,7as)-1-[(2s)-2-[[(2s)-1-hydroxy-1-oxo-pentan-2-yl]amino]propanoyl]-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxylic acid
  • (2s,3as,7as)-1-[(2s)-2-[[(2s)-1-hydroxy-1-oxopentan-2-yl]amino]propanoyl]-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxylic acid
  • 1h-indole-2-carboxylic acid, octahydro-1-(2-((1-carboxybutyl)amino)-1-oxopropyl)-, (2s-(1(r*(r*)),2-alpha,3a-beta,7a-beta))-
  • ls-82761
  • perindoprilat
  • perindoprilat [ban:inn]
  • perindoprilato [spanish]
  • perindoprilatum [latin]
  • perindorprilat
  • s 9780
CAS Number(s)
  • 95153-31-4
InChIKey ODAIHABQVKJNIY-PEDHHIEDSA-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