(4S)-5-[(4-Benzylphenyl)Sulfanyl]-4-[(7-Phenylheptanoyl)Amino]Pentanoic Acid

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Properties Simple | Detailed

Formula C31H37NO3S
IUPAC Name (4s)-5-(4-benzylphenyl)sulfanyl-4-(7-phenylheptanoylamino)pentanoic acid
Molecular Mass 503.695 g·mol−1
Heat of Formation -467.5 ± 16.7 kJ·mol−1
Dipole Moment 4.21 ± 1.08 D
Volume 645.9 Å 3
Surface Area 574.3 Å 2
HOMO Energy -8.44 ± 0.55 eV
LUMO Energy 2.82 ± eV
Point Group Symmetry C1
Synonyms
  • (4s)-4-(7-phenylheptanoylamino)-5-[4-(phenylmethyl)phenyl]sulfanyl-pentanoic acid
  • (4s)-4-(7-phenylheptanoylamino)-5-[4-(phenylmethyl)phenyl]sulfanylpentanoic acid
  • (4s)-4-[(1-oxo-7-phenylheptyl)amino]-5-[[4-(phenylmethyl)phenyl]thio]pentanoic acid
  • (4s)-5-[[4-(benzyl)phenyl]thio]-4-(7-phenylheptanoylamino)valeric acid
  • (s)-4-((1-oxo-7-phenylheptyl)amino)-5-((4-(phenylmethyl)phenyl)thio)pentanoic acid
  • 4-(s)-[(1-oxo-7-phenylheptyl)amino]-5-[4-(phenylmethyl)phenylthio]pentanoic acid
  • fpl-67047xx
  • oap
  • pentanoic acid, 4-((1-oxo-7-phenylheptyl)amino)-5-((4-(phenylmethyl)phenyl)thio)-, (s)-
CAS Number(s)
  • 154461-38-8
InChIKey BLFSPSZATDQQMK-NDEPHWFRSA-N
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