N-(4-Nitrophenyl)-N~2~-[(2S)-2-(Phosphonooxy)Hexanoyl]-L-Leucinamide

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Properties Simple | Detailed

Formula C18H28N3O8P
IUPAC Name [(1s)-1-[[(1s)-3-methyl-1-[(4-nitrophenyl)carbamoyl]butyl]carbamoyl]pentyl] dihydrogen phosphate
Molecular Mass 445.404 g·mol−1
Heat of Formation -1493.8 ± 16.7 kJ·mol−1
Dipole Moment 9.95 ± 1.08 D
Volume 522.49 Å 3
Surface Area 445.81 Å 2
HOMO Energy -9.48 ± 0.55 eV
LUMO Energy -1.08 ± eV
Point Group Symmetry C1
Synonyms
  • (s)-2-(phosphonoxy)caproyl-l-leucyl-p-nitroanilide
  • trihydroxy-[(1s)-1-[[(1s)-3-methyl-1-[(4-nitrophenyl)carbamoyl]butyl]carbamoyl]pentoxy]phosphonium
  • trihydroxy-[(1s)-1-[[[(1s)-3-methyl-1-[[(4-nitrophenyl)amino]-oxomethyl]butyl]amino]-oxomethyl]pentoxy]phosphonium
  • trihydroxy-[(2s)-1-[[(2s)-4-methyl-1-[(4-nitrophenyl)amino]-1-oxo-pentan-2-yl]amino]-1-oxo-hexan-2-yl]oxy-phosphanium
InChIKey HARXAJAHMRMERT-HOTGVXAUSA-N
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