N-({1-[(2R)-2-Carboxy-4-Phenylbutyl]Cyclopentyl}Carbonyl)-L-Tryptophan

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Properties Simple | Detailed

Formula C28H32N2O5
IUPAC Name (2r)-2-[[1-[[(1s)-1-carboxy-2-(6,7-dihydro-5h-indol-1-ium-7a-ylium-5,6,7-triid-3-yl)ethyl]carbamoyl]cyclopentyl]methyl]-4-phenyl-butanoic acid
Molecular Mass 476.564 g·mol−1
Heat of Formation 469.1 ± 16.7 kJ·mol−1
Dipole Moment 10.73 ± 1.08 D
Volume 595.25 Å 3
Surface Area 461.46 Å 2
HOMO Energy -5.54 ± 0.55 eV
LUMO Energy -4.53 ± eV
Point Group Symmetry C1
Synonyms
  • (2r)-2-[[1-[[(1s)-2-hydroxy-1-(1h-indol-3-ylmethyl)-2-keto-ethyl]carbamoyl]cyclopentyl]methyl]-4-phenyl-butyric acid
  • (2r)-2-[[1-[[(1s)-2-hydroxy-1-(1h-indol-3-ylmethyl)-2-oxo-ethyl]carbamoyl]cyclopentyl]methyl]-4-phenyl-butanoic acid
  • (2r)-2-[[1-[[(2s)-1-hydroxy-3-(1h-indol-3-yl)-1-oxo-propan-2-yl]carbamoyl]cyclopentyl]methyl]-4-phenyl-butanoic acid
  • (2r)-2-[[1-[[(2s)-1-hydroxy-3-(1h-indol-3-yl)-1-oxopropan-2-yl]carbamoyl]cyclopentyl]methyl]-4-phenylbutanoic acid
  • (2r)-2-[[1-[[[(1s)-2-hydroxy-1-(1h-indol-3-ylmethyl)-2-oxoethyl]amino]-oxomethyl]cyclopentyl]methyl]-4-phenylbutanoic acid
InChIKey MPZIROHQGMKFGS-YKSBVNFPSA-N
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