4-(1-Benzofuran-2-Ylmethyl)-1-{4-Benzyl-2-Hydroxy-5-[(2-Hydroxy-2,3-Dihydro-1H-Inden-1-Yl)Amino]-5-Oxopentyl}-N-(2-Methyl-2-Propanyl)-2-Piperazinecarboxamide

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Properties Simple | Detailed

Formula C39H48N4O5
IUPAC Name (2s)-4-(benzofuran-2-ylmethyl)-1-[(2s,4s)-4-benzyl-2-hydroxy-5-[[(1r,2r)-2-hydroxyindan-1-yl]amino]-5-oxo-pentyl]-n-tert-butyl-piperazine-2-carboxamide
Molecular Mass 652.822 g·mol−1
Heat of Formation -607.4 ± 16.7 kJ·mol−1
Dipole Moment 2.33 ± 1.08 D
Volume 822.67 Å 3
Surface Area 645.81 Å 2
HOMO Energy -8.95 ± 0.55 eV
LUMO Energy -0.32 ± eV
Point Group Symmetry C1
InChIKey AOMZDQMIOCTPQP-OGJUHTASSA-N
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