N-[(6R,8S)-6-Hydroxy-8-Isobutyl-6-Oxido-3,9-Dioxo-1-Phenyl-2,7-Dioxa-4-Aza-6Lambda~5~-Phosphanonan-9-Yl]-L-Leucine

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Properties Simple | Detailed

Formula C21H33N2O8P
IUPAC Name (2s)-2-[[(2s)-2-[benzyloxycarbonylaminomethyl(hydroxy)phosphoryl]oxy-4-methyl-pentanoyl]amino]-4-methyl-pentanoic acid
Molecular Mass 472.469 g·mol−1
Heat of Formation -1806.6 ± 16.7 kJ·mol−1
Dipole Moment 4.64 ± 1.08 D
Volume 569.99 Å 3
Surface Area 479.13 Å 2
HOMO Energy -9.28 ± 0.55 eV
LUMO Energy 3.01 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-2-[[(2s)-2-[(benzyloxycarbonylamino)methyl-hydroxy-phosphoryl]oxy-4-methyl-pentanoyl]amino]-4-methyl-valeric acid
  • (2s)-2-[[(2s)-2-[hydroxy-[(phenylmethoxycarbonylamino)methyl]phosphoryl]oxy-4-methyl-pentanoyl]amino]-4-methyl-pentanoic acid
  • (2s)-2-[[(2s)-2-[hydroxy-[(phenylmethoxycarbonylamino)methyl]phosphoryl]oxy-4-methylpentanoyl]amino]-4-methylpentanoic acid
  • (2s)-2-[[(2s)-2-[hydroxy-[[[oxo-(phenylmethoxy)methyl]amino]methyl]phosphoryl]oxy-4-methyl-1-oxopentyl]amino]-4-methylpentanoic acid
  • cbz-pgl-ole-leu
InChIKey WPUXZWKBJRFUJC-ROUUACIJSA-N
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