(3S)-3-[(N-{[(1R,3R,5R,7R)-Adamantan-2-Yloxy]Carbonyl}-α-Methyl-D-Tryptophyl)Amino]-4-Phenylbutanoic Acid

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Properties Simple | Detailed

Formula C33H39N3O5
IUPAC Name (3r)-3-[[(2s)-2-(2-adamantyloxycarbonylamino)-3-(2h-indol-1-ium-2-ylium-3-yl)-2-methyl-propanoyl]amino]-4-phenyl-butanoic acid
Molecular Mass 557.680 g·mol−1
Heat of Formation -867.2 ± 16.7 kJ·mol−1
Dipole Moment 6.32 ± 1.08 D
Volume 685.02 Å 3
Surface Area 492.4 Å 2
HOMO Energy -8.62 ± 0.55 eV
LUMO Energy -0.20 ± eV
Point Group Symmetry C1
InChIKey PGOLWKTUHWHYJS-LDDNKUFSSA-N
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