N-({(1R,2R,3S)-2-(Methylcarbamoyl)-3-[4-(Phosphonooxy)Phenyl]Cyclopropyl}Carbonyl)-L-Valyl-L-Aspartamide

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Formula C21H30N5O9P
IUPAC Name [4-[(1s,2r,3r)-2-[[(1s)-1-[[(1s)-3-amino-1-carbamoyl-3-oxo-propyl]carbamoyl]-2-methyl-propyl]carbamoyl]-3-(methylcarbamoyl)cyclopropyl]phenyl] dihydrogen phosphate
Molecular Mass 527.465 g·mol−1
Heat of Formation -1893.9 ± 16.7 kJ·mol−1
Dipole Moment 4.08 ± 1.08 D
Volume 608.35 Å 3
Surface Area 508.25 Å 2
HOMO Energy -9.12 ± 0.55 eV
LUMO Energy -0.93 ± eV
Point Group Symmetry C1
Synonyms
  • [4-[(1s,2r,3r)-2-[[(1s)-1-[[(1s)-3-amino-1-carbamoyl-3-keto-propyl]carbamoyl]-2-methyl-propyl]carbamoyl]-3-(methylcarbamoyl)cyclopropyl]phenyl] dihydrogen phosphate
  • [4-[(1s,2r,3r)-2-[[(1s)-1-[[(1s)-3-amino-1-carbamoyl-3-oxo-propyl]carbamoyl]-2-methyl-propyl]carbamoyl]-3-(methylcarbamoyl)cyclopropyl]phenyl] dihydrogen phosphate
  • [4-[(1s,2r,3r)-2-[[(2s)-1-[[(2s)-1,4-diamino-1,4-dioxo-butan-2-yl]amino]-3-methyl-1-oxo-butan-2-yl]carbamoyl]-3-(methylcarbamoyl)cyclopropyl]phenyl] dihydrogen phosphate
  • [4-[(1s,2r,3r)-2-[[[(1s)-1-[[[(1s)-3-amino-1-carbamoyl-3-oxopropyl]amino]-oxomethyl]-2-methylpropyl]amino]-oxomethyl]-3-(methylcarbamoyl)cyclopropyl]phenyl] dihydrogen phosphate
  • n-({(1r,2r,3s)-2-[(methylamino)carbonyl]-3-[4-(phosphonooxy)phenyl]cyclopropyl}carbonyl)-l-valyl-l-aspartamide
  • yvn
InChIKey LVYNAUCEOQBVSW-RDDKANTKSA-N
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