N,N-Dimethyl-L-Valyl-N-{(3S,4S,5R)-3-Methoxy-1-[(2S)-2-{(1R,2S)-1-Methoxy-2-Methyl-3-Oxo-3-[(2-Phenylethyl)Amino]Propyl}-1-Pyrrolidinyl]-5-Methyl-1-Oxo-4-Heptanyl}-N-Methyl-L-Valinamide

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Properties Simple | Detailed

Formula C39H67N5O6
IUPAC Name (2s)-2-[[(2s)-2-(dimethylamino)-3-methyl-butanoyl]amino]-n-[(1s,2s)-2-methoxy-4-[(2s)-2-[(1r,2s)-1-methoxy-2-methyl-3-oxo-3-(2-phenylethylamino)propyl]pyrrolidin-1-yl]-1-[(1r)-1-methylpropyl]-4-oxo-butyl]-n,3-dimethyl-butanamide
Molecular Mass 701.979 g·mol−1
Heat of Formation -1402.8 ± 16.7 kJ·mol−1
Dipole Moment 6.75 ± 1.08 D
Volume 934.41 Å 3
Surface Area 613.72 Å 2
HOMO Energy -9.02 ± 0.55 eV
LUMO Energy 0.41 ± eV
Point Group Symmetry C1
InChIKey DZMVCVHATYROOS-NRDHIEEJSA-N
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