(3S)-Tetrahydro-3-Furanyl [(2S,3S)-4-{(2S)-2-Benzyl-3-Oxo-4-[(4R)-1-Oxo-1,2,3,4-Tetrahydro-4-Isoquinolinyl]-2,3-Dihydro-1H-Pyrrol-2-Yl}-3-Hydroxy-1-Phenyl-2-Butanyl]Carbamate

Molecule SVG Image

Properties Simple | Detailed

Formula C35H37N3O6
IUPAC Name [(3s)-tetrahydrofuran-3-yl] n-[(1s,2s)-1-benzyl-3-[(2s)-2-benzyl-3-oxo-4-[(4r)-1-oxo-3,4-dihydro-2h-isoquinolin-4-yl]-1h-pyrrol-2-yl]-2-hydroxy-propyl]carbamate
Molecular Mass 595.685 g·mol−1
Heat of Formation -760.3 ± 16.7 kJ·mol−1
Dipole Moment 8.12 ± 1.08 D
Volume 720.98 Å 3
Surface Area 530.78 Å 2
HOMO Energy -8.91 ± 0.55 eV
LUMO Energy 2.82 ± eV
Point Group Symmetry C1
Synonyms
  • [(3s)-oxolan-3-yl] n-[(2s,3s)-3-hydroxy-4-[(2s)-3-oxo-4-[(4r)-1-oxo-3,4-dihydro-2h-isoquinolin-4-yl]-2-(phenylmethyl)-1h-pyrrol-2-yl]-1-phenyl-butan-2-yl]carbamate
  • [(3s)-oxolan-3-yl] n-[(2s,3s)-3-hydroxy-4-[(2s)-3-oxo-4-[(4r)-1-oxo-3,4-dihydro-2h-isoquinolin-4-yl]-2-(phenylmethyl)-1h-pyrrol-2-yl]-1-phenylbutan-2-yl]carbamate
  • [(3s)-tetrahydrofuran-3-yl] n-[(1s,2s)-2-hydroxy-3-[(2s)-3-oxo-4-[(4r)-1-oxo-3,4-dihydro-2h-isoquinolin-4-yl]-2-(phenylmethyl)-1h-pyrrol-2-yl]-1-(phenylmethyl)propyl]carbamate
  • carbamic acid, [(1s,2s)-3-[(2s)-2,3-dihydro-3-oxo-2-(phenylmethyl)-4-[(4r)-1,2,3,4-tetrahydro-1-oxo-4-isoquinolinyl]-1h-pyrrol-2-yl]-2-hydroxy-1-(phenylmethyl)propyl]-, (3s)-tetrahydro-3-furanyl ester
  • ldc271 inhibitor
  • n-[(1s,2s)-2-hydroxy-3-[(2s)-3-oxo-4-[(4r)-1-oxo-3,4-dihydro-2h-isoquinolin-4-yl]-2-(phenylmethyl)-1h-pyrrol-2-yl]-1-(phenylmethyl)propyl]carbamic acid [(3s)-3-tetrahydrofuranyl] ester
  • {1-benzyl-3-[2-benzyl-3-oxo-4-(1-oxo-1,2,3,4-tetrahydro- isoquinolin-4-yl)-2,3-dihydro-1h-pyrrol-2-yl]-2- hydroxy-propyl}-carbamic acid tetrahydro-furan-3-yl ester
InChIKey BFWPVLSACSESSM-VHGZSVTHSA-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