N-(3-Methylbutanoyl)-L-Valyl-N-{(1R)-1-[(S)-(2-Ethoxy-2-Oxoethyl)(Hydroxy)Phosphoryl]-3-Methylbutyl}-L-Valinamide

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Properties Simple | Detailed

Formula C24H46N3O7P
IUPAC Name (2-ethoxy-2-oxo-ethyl)-[(1r)-3-methyl-1-[[(2s)-3-methyl-2-[[(2s)-3-methyl-2-(3-methylbutanoylamino)butanoyl]amino]butanoyl]amino]butyl]phosphinic acid
Molecular Mass 519.612 g·mol−1
Heat of Formation -1872.8 ± 16.7 kJ·mol−1
Dipole Moment 6.74 ± 1.08 D
Volume 673.98 Å 3
Surface Area 516.76 Å 2
HOMO Energy -8.78 ± 0.55 eV
LUMO Energy 3.50 ± eV
Point Group Symmetry C1
Synonyms
  • (2-ethoxy-2-keto-ethyl)-[(1r)-1-[[(2s)-2-[[(2s)-2-(isovalerylamino)-3-methyl-butanoyl]amino]-3-methyl-butanoyl]amino]-3-methyl-butyl]phosphinic acid
  • (2-ethoxy-2-oxo-ethyl)-[(1r)-3-methyl-1-[[(2s)-3-methyl-2-[[(2s)-3-methyl-2-(3-methylbutanoylamino)butanoyl]amino]butanoyl]amino]butyl]phosphinic acid
  • (2-ethoxy-2-oxoethyl)-[(1r)-3-methyl-1-[[(2s)-3-methyl-2-[[(2s)-3-methyl-2-(3-methylbutanoylamino)butanoyl]amino]butanoyl]amino]butyl]phosphinic acid
  • (2-ethoxy-2-oxoethyl)-[(1r)-3-methyl-1-[[(2s)-3-methyl-2-[[(2s)-3-methyl-2-[(3-methyl-1-oxobutyl)amino]-1-oxobutyl]amino]-1-oxobutyl]amino]butyl]phosphinic acid
  • iva-val-val-pta-oet
InChIKey GSDBAIBPJKAZKN-HJNYFJLDSA-N
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