N-(3-Carboxypropanoyl)-L-Valyl-N-[(1R)-5-Amino-1-Phosphonopentyl]-L-Prolinamide

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Properties Simple | Detailed

Formula C19H35N4O8P
IUPAC Name 4-[[(1s)-1-[(2s)-2-[[(1r)-5-amino-1-phosphono-pentyl]carbamoyl]pyrrolidine-1-carbonyl]-2-methyl-propyl]amino]-4-oxo-butanoic acid
Molecular Mass 478.477 g·mol−1
Heat of Formation -1915.8 ± 16.7 kJ·mol−1
Dipole Moment 4.73 ± 1.08 D
Volume 573.67 Å 3
Surface Area 466.45 Å 2
HOMO Energy -9.06 ± 0.55 eV
LUMO Energy 0.15 ± eV
Point Group Symmetry C1
Synonyms
  • 4-[[(1s)-1-[(2s)-2-[[(1r)-5-amino-1-phosphono-pentyl]carbamoyl]pyrrolidine-1-carbonyl]-2-methyl-propyl]amino]-4-keto-butyric acid
  • 4-[[(1s)-1-[(2s)-2-[[(1r)-5-amino-1-phosphono-pentyl]carbamoyl]pyrrolidine-1-carbonyl]-2-methyl-propyl]amino]-4-oxo-butanoic acid
  • 4-[[(1s)-1-[[(2s)-2-[[[(1r)-5-amino-1-phosphonopentyl]amino]-oxomethyl]-1-pyrrolidinyl]-oxomethyl]-2-methylpropyl]amino]-4-oxobutanoic acid
  • 4-[[(2s)-1-[(2s)-2-[[(1r)-5-amino-1-phosphono-pentyl]carbamoyl]pyrrolidin-1-yl]-3-methyl-1-oxo-butan-2-yl]amino]-4-oxo-butanoic acid
InChIKey POVVCGMAFFRCCC-LXZKKBNFSA-N
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