(3S)-3-[({(3R)-1-[3-(4-Piperidinyl)Propanoyl]-3-Piperidinyl}Carbonyl)Amino]-3-(3-Pyridinyl)Propanoic Acid

Molecule SVG Image

Properties Simple | Detailed

Formula C22H32N4O4
IUPAC Name (3s)-3-[[(3r)-1-[3-(4-piperidyl)propanoyl]piperidine-3-carbonyl]amino]-3-(3-pyridyl)propanoic acid
Molecular Mass 416.514 g·mol−1
Heat of Formation -741.2 ± 16.7 kJ·mol−1
Dipole Moment 6.46 ± 1.08 D
Volume 512.5 Å 3
Surface Area 380.35 Å 2
HOMO Energy -8.98 ± 0.55 eV
LUMO Energy -0.66 ± eV
Point Group Symmetry C1
Synonyms
  • (3s)-3-[[(3r)-1-(3-piperidin-4-ylpropanoyl)piperidin-3-yl]carbonylamino]-3-pyridin-3-yl-propanoic acid
  • (3s)-3-[[(3r)-1-(3-piperidin-4-ylpropanoyl)piperidine-3-carbonyl]amino]-3-pyridin-3-ylpropanoic acid
  • (3s)-3-[[(3r)-1-[3-(4-piperidyl)propanoyl]piperidine-3-carbonyl]amino]-3-(3-pyridyl)propanoic acid
  • (3s)-3-[[(3r)-1-[3-(4-piperidyl)propanoyl]piperidine-3-carbonyl]amino]-3-(3-pyridyl)propionic acid
  • (3s)-3-[[oxo-[(3r)-1-[1-oxo-3-(4-piperidinyl)propyl]-3-piperidinyl]methyl]amino]-3-(3-pyridyl)propanoic acid
  • (s)-beta-((r)-1-(3-(4-piperidyl)propionyl)nipecotamido)-3-pyridinepropionic acid
  • rwj-53308
CAS Number(s)
  • 198958-88-2
InChIKey ABNXKGFLZFSILK-MOPGFXCFSA-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