Belnacasan

Molecule SVG Image

Properties Simple | Detailed

Formula C24H33ClN4O6
IUPAC Name (2s)-1-[(2s)-2-[(4-amino-3-chloro-benzoyl)amino]-3,3-dimethyl-butanoyl]-n-[(2r,3s)-2-ethoxy-5-oxo-tetrahydrofuran-3-yl]pyrrolidine-2-carboxamide
Molecular Mass 508.995 g·mol−1
Heat of Formation -1123.7 ± 16.7 kJ·mol−1
Dipole Moment 1.68 ± 1.08 D
Volume 602.5 Å 3
Surface Area 493.26 Å 2
HOMO Energy -8.86 ± 0.55 eV
LUMO Energy -0.38 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-1-[(2s)-2-[(4-amino-3-chloro-benzoyl)amino]-3,3-dimethyl-butanoyl]-n-[(2r,3s)-2-ethoxy-5-keto-tetrahydrofuran-3-yl]pyrrolidine-2-carboxamide
  • (2s)-1-[(2s)-2-[(4-amino-3-chloro-benzoyl)amino]-3,3-dimethyl-butanoyl]-n-[(2r,3s)-2-ethoxy-5-oxo-tetrahydrofuran-3-yl]pyrrolidine-2-carboxamide
  • (2s)-1-[(2s)-2-[(4-amino-3-chloro-phenyl)carbonylamino]-3,3-dimethyl-butanoyl]-n-[(2r,3s)-2-ethoxy-5-oxo-oxolan-3-yl]pyrrolidine-2-carboxamide
  • (2s)-1-[(2s)-2-[[(4-amino-3-chlorophenyl)-oxomethyl]amino]-3,3-dimethyl-1-oxobutyl]-n-[(2r,3s)-2-ethoxy-5-oxo-3-tetrahydrofuranyl]-2-pyrrolidinecarboxamide
InChIKey SJDDOCKBXFJEJB-MOKWFATOSA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C N O Cl