{[(2'-[(3-Biphenylylmethyl)Carbamoyl]-6'-{[2-(1-Pyrrolidinylmethyl)-1-Pyrrolidinyl]Carbonyl}-6-{[2-(1H-Pyrrol-1-Ylmethyl)-1-Pyrrolidinyl]Carbonyl}-4,4'-Bipyridin-2-Yl)Carbonyl]Amino}(Cyclohexyl)Acetic Acid

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Formula C53H60N8O6
IUPAC Name (2r)-2-cyclohexyl-2-[[4-[2-[(3-phenylphenyl)methylcarbamoyl]-6-[(2r)-2-(pyrrolidin-1-ylmethyl)pyrrolidine-1-carbonyl]-4-pyridyl]-6-[(2r)-2-(pyrrol-1-ylmethyl)pyrrolidine-1-carbonyl]pyridine-2-carbonyl]amino]acetic acid
Molecular Mass 905.094 g·mol−1
Heat of Formation -621.4 ± 16.7 kJ·mol−1
Dipole Moment 6.64 ± 1.08 D
Volume 1111.51 Å 3
Surface Area 839.39 Å 2
HOMO Energy -8.83 ± 0.55 eV
LUMO Energy -1.49 ± eV
Point Group Symmetry C1
InChIKey OURBCKKEKMWLAJ-JYIFATIISA-N
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