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

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Properties Simple | Detailed

Formula C32H41NO4
IUPAC Name 2-[[3-[[[4-(1-adamantyl)benzoyl]amino]methyl]-4-propoxy-phenyl]methyl]butanoic acid
Molecular Mass 503.672 g·mol−1
Heat of Formation -792.1 ± 16.7 kJ·mol−1
Dipole Moment 4.14 ± 1.08 D
Volume 645.21 Å 3
Surface Area 522.3 Å 2
HOMO Energy -8.86 ± 0.55 eV
LUMO Energy 2.99 ± eV
Point Group Symmetry C1
InChIKey GUFHDBFHNDUDJA-ZQPQWVRXSA-N
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