(3R)-3-({N-[(Adamantan-2-Yloxy)Carbonyl]-α-Methyl-L-Tryptophyl}Amino)-4-(4-Fluorophenyl)Butanoic Acid

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Properties Simple | Detailed

Formula C33H38FN3O5
IUPAC Name (3s)-3-[[(2s)-2-(2-adamantyloxycarbonylamino)-3-(2h-indol-1-ium-2-ylium-3-yl)-2-methyl-propanoyl]amino]-4-(4-fluorophenyl)butanoic acid
Molecular Mass 575.670 g·mol−1
Heat of Formation -1045.9 ± 16.7 kJ·mol−1
Dipole Moment 3.20 ± 1.08 D
Volume 683.64 Å 3
Surface Area 515.6 Å 2
HOMO Energy -8.25 ± 0.55 eV
LUMO Energy -0.49 ± eV
Point Group Symmetry C1
InChIKey UZOOGOCMUARFDV-QLJXUXPBSA-N
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