N~2~-{(2R,4S,5S)-6-Cyclohexyl-4-Hydroxy-2-Isobutyl-5-[(N-{[(2-Methyl-2-Propanyl)Oxy]Carbonyl}-L-Phenylalanyl-L-Histidyl)Amino]Hexanoyl}-L-Lysyl-L-Phenylalanine

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Properties Simple | Detailed

Formula C51H76N8O9
IUPAC Name (2s)-2-[[(2s)-6-amino-2-[[(2r,4s,5s)-5-[[(2s)-2-[[(2s)-2-(tert-butoxycarbonylamino)-3-phenyl-propanoyl]amino]-3-(1h-imidazol-3-ium-5-id-5-yl)propanoyl]amino]-6-cyclohexyl-4-hydroxy-2-isobutyl-hexanoyl]amino]hexanoyl]amino]-3-phenyl-propanoic acid
Molecular Mass 945.197 g·mol−1
Heat of Formation -1876.4 ± 16.7 kJ·mol−1
Dipole Moment 3.55 ± 1.08 D
Volume 1214.08 Å 3
Surface Area 853.98 Å 2
HOMO Energy -9.27 ± 0.55 eV
LUMO Energy 0.11 ± eV
Point Group Symmetry C1
InChIKey YHLJEWZZOJLRNJ-XDDFAUCWSA-P
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