(2S)-7-Amino-2-[(Hydroxy{(1R)-2-Methyl-1-[(3-Phenylpropanoyl)Amino]Propyl}Phosphoryl)Methyl]Heptanoic Acid

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Properties Simple | Detailed

Formula C21H35N2O5P
IUPAC Name (2s)-7-amino-2-[[hydroxy-[(1r)-2-methyl-1-(3-phenylpropanoylamino)propyl]phosphoryl]methyl]heptanoic acid
Molecular Mass 426.487 g·mol−1
Heat of Formation -1204.9 ± 16.7 kJ·mol−1
Dipole Moment 3.55 ± 1.08 D
Volume 544.37 Å 3
Surface Area 469.22 Å 2
HOMO Energy -8.98 ± 0.55 eV
LUMO Energy 3.26 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-7-amino-2-[[hydroxy-[(1r)-2-methyl-1-(3-phenylpropanoylamino)propyl]phosphoryl]methyl]enanthic acid
  • (2s)-7-amino-2-[[hydroxy-[(1r)-2-methyl-1-(3-phenylpropanoylamino)propyl]phosphoryl]methyl]heptanoic acid
  • (2s)-7-amino-2-[[hydroxy-[(1r)-2-methyl-1-[(1-oxo-3-phenylpropyl)amino]propyl]phosphoryl]methyl]heptanoic acid
InChIKey DEWOTLFUKYSXIE-UYAOXDASSA-N
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