N-{(2S)-2-[(4-Morpholinylacetyl)Amino]-4-Phenylbutanoyl}-L-Leucyl-N-[(2R,3S,4S)-1,3-Dihydroxy-2,6-Dimethyl-4-Heptanyl]-L-Phenylalaninamide

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Properties Simple | Detailed

Formula C40H61N5O7
IUPAC Name (2s)-n-[(1s)-1-benzyl-2-[[(1s,2s,3r)-2,4-dihydroxy-1-isobutyl-3-methyl-butyl]amino]-2-oxo-ethyl]-4-methyl-2-[[(2s)-2-[(2-morpholinoacetyl)amino]-4-phenyl-butanoyl]amino]pentanamide
Molecular Mass 723.942 g·mol−1
Heat of Formation -1472.9 ± 16.7 kJ·mol−1
Dipole Moment 2.63 ± 1.08 D
Volume 936.37 Å 3
Surface Area 640.42 Å 2
HOMO Energy -9.48 ± 0.55 eV
LUMO Energy 0.13 ± eV
Point Group Symmetry C1
InChIKey CNNZTHKANUECTE-JMNVNGPASA-N
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