1-{N-[(5-Chloro-1H-Indol-2-Yl)Carbonyl]-L-Phenylalanyl}-3-Azetidinecarboxylic Acid

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Properties Simple | Detailed

Formula C22H20ClN3O4
IUPAC Name 1-[(2s)-2-[(5-chloroindol-1-ium-3a-ide-2-carbonyl)amino]-3-phenyl-propanoyl]azetidine-3-carboxylic acid
Molecular Mass 425.865 g·mol−1
Heat of Formation -426.2 ± 16.7 kJ·mol−1
Dipole Moment 1.29 ± 1.08 D
Volume 494.14 Å 3
Surface Area 414.63 Å 2
HOMO Energy -9.17 ± 0.55 eV
LUMO Energy -1.03 ± eV
Point Group Symmetry C1
Synonyms
  • 1-[(2s)-2-[(5-chloro-1h-indol-2-yl)carbonylamino]-3-phenyl-propanoyl]azetidine-3-carboxylic acid
  • 1-[(2s)-2-[(5-chloro1h-indole-2-carbonyl)amino]-3-phenyl-propanoyl]azetidine-3-carboxylic acid
  • 1-[(2s)-2-[(5-chloro1h-indole-2-carbonyl)amino]-3-phenylpropanoyl]azetidine-3-carboxylic acid
  • 1-[(2s)-2-[[(5-chloro-1h-indol-2-yl)-oxomethyl]amino]-1-oxo-3-phenylpropyl]-3-azetidinecarboxylic acid
  • [5-chloro-1h-indol-2-carbonyl-phenylalaninyl]-azetidine-3-carboxylic acid
  • cp403700, (s)-1-{2-[(5-chloro-1h-indole-2-carbonyl)-amino]-3-phenyl-propionyl}-azetidine-3-carboxylate
InChIKey RONLONYAIBUEKT-IBGZPJMESA-N
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Elements H C N O Cl