(3S,6S,7S,9As)-6-{[(2S)-2-Aminobutanoyl]Amino}-N-(Diphenylmethyl)-7-(Hydroxymethyl)-5-Oxooctahydro-1H-Pyrrolo[1,2-A]Azepine-3-Carboxamide

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Formula C28H36N4O4
IUPAC Name (3s,6s,7s,9as)-6-[[(2s)-2-aminobutanoyl]amino]-n-benzhydryl-7-(hydroxymethyl)-5-oxo-1,2,3,6,7,8,9,9a-octahydropyrrolo[1,2-a]azepine-3-carboxamide
Molecular Mass 492.610 g·mol−1
Heat of Formation -623.5 ± 16.7 kJ·mol−1
Dipole Moment 5.87 ± 1.08 D
Volume 607.2 Å 3
Surface Area 450.81 Å 2
HOMO Energy -9.23 ± 0.55 eV
LUMO Energy 2.84 ± eV
Point Group Symmetry C1
InChIKey WXYVFFGXHFXTLU-FCRIMTMASA-N
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