(3S,10As)-2-[(2S)-2-Cyclohexyl-2-{[(2S)-2-(Methylamino)Butanoyl]Amino}Acetyl]-N-[(4R)-3,4-Dihydro-2H-Chromen-4-Yl]-1,2,3,4,10,10A-Hexahydropyrazino[1,2-A]Indole-3-Carboxamide

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Formula C34H45N5O4
IUPAC Name (3s,5s,10as)-n-[(4r)-chroman-4-yl]-2-[(2s)-2-cyclohexyl-2-[[(2s)-2-(methylamino)butanoyl]amino]acetyl]-3,4,10,10a-tetrahydro-1h-pyrazino[1,2-a]indole-3-carboxamide
Molecular Mass 587.752 g·mol−1
Heat of Formation -592.4 ± 16.7 kJ·mol−1
Dipole Moment 1.54 ± 1.08 D
Volume 730.21 Å 3
Surface Area 559.05 Å 2
HOMO Energy -8.34 ± 0.55 eV
LUMO Energy 0.17 ± eV
Point Group Symmetry C1
InChIKey TYXHMZBEDPKUQY-HDFVOGAFSA-N
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