(3S)-3-{(3S)-2-Oxo-3-[3-(5,6,7,8-Tetrahydro-1,8-Naphthyridin-2-Yl)Propyl]-1-Pyrrolidinyl}-3-(3-Quinolinyl)Propanoic Acid

Molecule SVG Image

Properties Simple | Detailed

Formula C27H30N4O3
IUPAC Name (3s)-3-[(3s)-2-oxo-3-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]pyrrolidin-1-yl]-3-(3-quinolyl)propanoic acid
Molecular Mass 458.552 g·mol−1
Heat of Formation -368.4 ± 16.7 kJ·mol−1
Dipole Moment 6.81 ± 1.08 D
Volume 563.99 Å 3
Surface Area 405.35 Å 2
HOMO Energy -7.98 ± 0.55 eV
LUMO Energy 1.96 ± eV
Point Group Symmetry C1
Synonyms
  • (3s)-3-[(3s)-2-keto-3-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]pyrrolidin-1-yl]-3-(3-quinolyl)propionic acid
  • (3s)-3-[(3s)-2-oxo-3-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]-1-pyrrolidinyl]-3-(3-quinolyl)propanoic acid
  • (3s)-3-[(3s)-2-oxo-3-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]pyrrolidin-1-yl]-3-(3-quinolyl)propanoic acid
  • (3s)-3-[(3s)-2-oxo-3-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]pyrrolidin-1-yl]-3-quinolin-3-yl-propanoic acid
  • (3s)-3-[(3s)-2-oxo-3-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]pyrrolidin-1-yl]-3-quinolin-3-ylpropanoic acid
InChIKey ILIAIJBQDWEDLF-CYFREDJKSA-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