N-(3-Carboxypropanoyl)-L-Valyl-N-[(1R)-2-Phenyl-1-Phosphonoethyl]-L-Prolinamide

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Properties Simple | Detailed

Formula C22H32N3O8P
IUPAC Name 4-[[(1s)-2-methyl-1-[(2s)-2-[[(1r)-2-phenyl-1-phosphono-ethyl]carbamoyl]pyrrolidine-1-carbonyl]propyl]amino]-4-oxo-butanoic acid
Molecular Mass 497.479 g·mol−1
Heat of Formation -1762.4 ± 16.7 kJ·mol−1
Dipole Moment 3.86 ± 1.08 D
Volume 591.8 Å 3
Surface Area 476.71 Å 2
HOMO Energy -9.25 ± 0.55 eV
LUMO Energy 2.89 ± eV
Point Group Symmetry C1
Synonyms
  • 4-[[(1s)-2-methyl-1-[(2s)-2-[[(1r)-2-phenyl-1-phosphono-ethyl]carbamoyl]pyrrolidine-1-carbonyl]propyl]amino]-4-oxo-butanoic acid
  • 4-[[(1s)-2-methyl-1-[oxo-[(2s)-2-[oxo-[[(1r)-2-phenyl-1-phosphonoethyl]amino]methyl]-1-pyrrolidinyl]methyl]propyl]amino]-4-oxobutanoic acid
  • 4-[[(2s)-3-methyl-1-oxo-1-[(2s)-2-[[(1r)-2-phenyl-1-phosphono-ethyl]carbamoyl]pyrrolidin-1-yl]butan-2-yl]amino]-4-oxo-butanoic acid
  • 4-[[(2s)-3-methyl-1-oxo-1-[(2s)-2-[[(1r)-2-phenyl-1-phosphonoethyl]carbamoyl]pyrrolidin-1-yl]butan-2-yl]amino]-4-oxobutanoic acid
  • 4-keto-4-[[(1s)-2-methyl-1-[(2s)-2-[[(1r)-2-phenyl-1-phosphono-ethyl]carbamoyl]pyrrolidine-1-carbonyl]propyl]amino]butyric acid
InChIKey KPGFVOVOBVGIMY-HQRMLTQVSA-N
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