N-{(2S)-2-[Benzyl(Methyl)Amino]-3-[4,4-Dihydroxy-1-(1H-Indol-3-Ylcarbonyl)-2-Cyclohexen-1-Yl]Propanoyl}-L-Prolinamide

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Properties Simple | Detailed

Formula C31H36N4O5
IUPAC Name (2s)-n-[(2s)-2-[benzyl(methyl)amino]-3-[(1r)-4,4-dihydroxy-1-(1h-indole-3-carbonyl)cyclohex-2-en-1-yl]propanoyl]pyrrolidine-2-carboxamide
Molecular Mass 544.641 g·mol−1
Heat of Formation -631.7 ± 16.7 kJ·mol−1
Dipole Moment 2.55 ± 1.08 D
Volume 648.23 Å 3
Surface Area 481.89 Å 2
HOMO Energy -8.75 ± 0.55 eV
LUMO Energy -0.38 ± eV
Point Group Symmetry C1
InChIKey IFWOFNMURCNNHO-BRWNIOCJSA-N
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