Methyl N-[(2S)-2-({Hydroxy[(1R)-3-Methyl-1-{[N-(3-Methylbutanoyl)-L-Valyl-L-Valyl]Amino}Butyl]Phosphoryl}Oxy)-3-Phenylpropanoyl]-L-Alanyl-L-Alaninate

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Properties Simple | Detailed

Formula C36H60N5O10P
IUPAC Name [(1s)-1-benzyl-2-[[(1s)-2-[[(1s)-2-methoxy-1-methyl-2-oxo-ethyl]amino]-1-methyl-2-oxo-ethyl]amino]-2-oxo-ethoxy]-[(1r)-3-methyl-1-[[(2s)-3-methyl-2-[[(2s)-3-methyl-2-(3-methylbutanoylamino)butanoyl]amino]butanoyl]amino]butyl]phosphinic acid
Molecular Mass 753.863 g·mol−1
Heat of Formation -2407.5 ± 16.7 kJ·mol−1
Dipole Moment 4.00 ± 1.08 D
Volume 958.11 Å 3
Surface Area 713.47 Å 2
HOMO Energy -9.16 ± 0.55 eV
LUMO Energy 0.14 ± eV
Point Group Symmetry C1
InChIKey CEPZPGMVMASQKU-ORDNGIEBSA-N
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