(3R)-5-(1H-Indol-3-Yl)-3-({N-[4-(4-Piperidinyl)Butanoyl]Glycyl}Amino)Pentanoic Acid

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Properties Simple | Detailed

Formula C24H34N4O4
IUPAC Name (3r)-5-indol-1-ium-3-yl-3-[[2-[4-(4-piperidyl)butanoylamino]acetyl]amino]pentanoic acid
Molecular Mass 442.551 g·mol−1
Heat of Formation -723.7 ± 16.7 kJ·mol−1
Dipole Moment 2.16 ± 1.08 D
Volume 568.24 Å 3
Surface Area 461.93 Å 2
HOMO Energy -8.29 ± 0.55 eV
LUMO Energy 0.13 ± eV
Point Group Symmetry C1
Synonyms
  • (3r)-5-(1h-indol-3-yl)-3-[2-(4-piperidin-4-ylbutanoylamino)ethanoylamino]pentanoic acid
  • (3r)-5-(1h-indol-3-yl)-3-[[1-oxo-2-[[1-oxo-4-(4-piperidinyl)butyl]amino]ethyl]amino]pentanoic acid
  • (3r)-5-(1h-indol-3-yl)-3-[[2-(4-piperidin-4-ylbutanoylamino)acetyl]amino]pentanoic acid
  • (3r)-5-(1h-indol-3-yl)-3-[[2-[4-(4-piperidyl)butanoylamino]acetyl]amino]pentanoic acid
  • (3r)-5-(1h-indol-3-yl)-3-[[2-[4-(4-piperidyl)butanoylamino]acetyl]amino]valeric acid
  • 1h-indole-3-pentanoic acid, beta-((((1-oxo-4-(4-piperidinyl)butyl)amino)acetyl)amino)-, (r)-
  • l 703014
  • l-703014
CAS Number(s)
  • 142638-79-7
InChIKey CEYGRENFNCKRRG-LJQANCHMSA-N
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