N-[(2R)-2-Hydroxy-3-{[(4-Phenoxyphenyl)Sulfonyl]Amino}Propyl]-N~2~-Isonicotinoyl-L-Leucinamide

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Properties Simple | Detailed

Formula C27H32N4O6S
IUPAC Name n-[(1s)-1-[[(2r)-2-hydroxy-3-[(4-phenoxyphenyl)sulfonylamino]propyl]carbamoyl]-3-methyl-butyl]pyridine-4-carboxamide
Molecular Mass 540.631 g·mol−1
Heat of Formation -781.2 ± 16.7 kJ·mol−1
Dipole Moment 0.94 ± 1.08 D
Volume 641.64 Å 3
Surface Area 554.61 Å 2
HOMO Energy -9.65 ± 0.55 eV
LUMO Energy -0.99 ± eV
Point Group Symmetry C1
Synonyms
  • 1-[[(4-phenoxyphenyl)sulfonyl]amino]-3-[[n/n-(4-pyridinylcarbonyl)-l-leucyl]amino]-2-propanol
  • n-[(1s)-1-[[(2r)-2-hydroxy-3-[[4-(phenoxy)phenyl]sulfonylamino]propyl]carbamoyl]-3-methyl-butyl]isonicotinamide
  • n-[(1s)-1-[[(2r)-2-hydroxy-3-[[4-(phenoxy)phenyl]sulfonylamino]propyl]carbamoyl]-3-methyl-butyl]pyridine-4-carboxamide
  • n-[(1s)-1-[[[(2r)-2-hydroxy-3-[[4-(phenoxy)phenyl]sulfonylamino]propyl]amino]-oxomethyl]-3-methylbutyl]-4-pyridinecarboxamide
  • n-[(2s)-1-[[(2r)-2-hydroxy-3-[[4-(phenoxy)phenyl]sulfonylamino]propyl]amino]-4-methyl-1-oxo-pentan-2-yl]pyridine-4-carboxamide
  • n-[(2s)-1-[[(2r)-2-hydroxy-3-[[4-(phenoxy)phenyl]sulfonylamino]propyl]amino]-4-methyl-1-oxopentan-2-yl]pyridine-4-carboxamide
  • pos
InChIKey RNXGMLBGKGGGPZ-BWKNWUBXSA-N
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