(2S)-2-{3-[({4-[(3S,5S,7S)-Adamantan-1-Yl]Benzoyl}Amino)Methyl]-4-Butoxybenzyl}Butanoic Acid

Molecule SVG Image

Properties Simple | Detailed

Formula C33H43NO4
IUPAC Name (2s)-2-[[3-[[[4-(1-adamantyl)benzoyl]amino]methyl]-4-butoxy-phenyl]methyl]butanoic acid
Molecular Mass 517.699 g·mol−1
Heat of Formation -813.6 ± 16.7 kJ·mol−1
Dipole Moment 4.12 ± 1.08 D
Volume 667.64 Å 3
Surface Area 538.12 Å 2
HOMO Energy -8.86 ± 0.55 eV
LUMO Energy 2.98 ± eV
Point Group Symmetry C1
InChIKey DEFUFGZNKMSDHW-KVJCSQNRSA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O N