(2R)-N~1~-[(2R,3S)-2-Hydroxy-4-Phenyl-3-{[N-(2-Quinolinylcarbonyl)-L-Threonyl]Amino}Butyl]-2-(2-Methyl-2-Propanyl)-N~4~-(3-Pentanyl)Succinamide

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Properties Simple | Detailed

Formula C37H51N5O6
IUPAC Name (2r)-2-(1,1-dimethylethyl)-n'-(1-ethylpropyl)-n-[(2r,3s)-2-hydroxy-3-[[(2s,3r)-3-hydroxy-2-(quinoline-2-carbonylamino)butanoyl]amino]-4-phenyl-butyl]butanediamide
Molecular Mass 661.831 g·mol−1
Heat of Formation -1149.5 ± 16.7 kJ·mol−1
Dipole Moment 3.95 ± 1.08 D
Volume 840.16 Å 3
Surface Area 642.67 Å 2
HOMO Energy -9.47 ± 0.55 eV
LUMO Energy -1.23 ± eV
Point Group Symmetry C1
Synonyms
  • (2r)-2-tert-butyl-n'-(1-ethylpropyl)-n-[(2r,3s)-2-hydroxy-3-[[(2s,3r)-3-hydroxy-1-oxo-2-[[oxo-(2-quinolyl)methyl]amino]butyl]amino]-4-phenylbutyl]butanediamide
  • (2r)-2-tert-butyl-n'-(1-ethylpropyl)-n-[(2r,3s)-2-hydroxy-3-[[(2s,3r)-3-hydroxy-2-(quinoline-2-carbonylamino)butanoyl]amino]-4-phenyl-butyl]butanediamide
  • (2r)-2-tert-butyl-n'-(1-ethylpropyl)-n-[(2r,3s)-2-hydroxy-3-[[(2s,3r)-3-hydroxy-2-(quinoline-2-carbonylamino)butanoyl]amino]-4-phenyl-butyl]succinamide
  • (2r)-2-tert-butyl-n-[(2r,3s)-2-hydroxy-3-[[(2s,3r)-3-hydroxy-2-(quinolin-2-ylcarbonylamino)butanoyl]amino]-4-phenyl-butyl]-n'-pentan-3-yl-butanediamide
  • qnc-thr-phm-rhs
InChIKey LUQGXGNLGWQNMB-BJPNTFJISA-N
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