N-(1-Carboxy-3-Phenylpropyl)Leucyltryptophan

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Properties Simple | Detailed

Formula C27H33N3O5
IUPAC Name (2s)-2-[[(1s)-1-[[(1s)-1-carboxy-2-(2h-indol-1-ium-2-ylium-3-yl)ethyl]carbamoyl]-3-methyl-butyl]amino]-4-phenyl-butanoic acid
Molecular Mass 479.568 g·mol−1
Heat of Formation -851.7 ± 16.7 kJ·mol−1
Dipole Moment 4.48 ± 1.08 D
Volume 593.68 Å 3
Surface Area 423.32 Å 2
HOMO Energy -8.76 ± 0.55 eV
LUMO Energy 2.62 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-2-[[(1s)-1-[[(1s)-2-hydroxy-1-(1h-indol-3-ylmethyl)-2-keto-ethyl]carbamoyl]-3-methyl-butyl]amino]-4-phenyl-butyric acid
  • (2s)-2-[[(1s)-1-[[(1s)-2-hydroxy-1-(1h-indol-3-ylmethyl)-2-oxo-ethyl]carbamoyl]-3-methyl-butyl]amino]-4-phenyl-butanoic acid
  • (2s)-2-[[(1s)-1-[[[(1s)-2-hydroxy-1-(1h-indol-3-ylmethyl)-2-oxoethyl]amino]-oxomethyl]-3-methylbutyl]amino]-4-phenylbutanoic acid
  • (2s)-2-[[(2s)-1-[[(2s)-1-hydroxy-3-(1h-indol-3-yl)-1-oxo-propan-2-yl]amino]-4-methyl-1-oxo-pentan-2-yl]amino]-4-phenyl-butanoic acid
  • (2s)-2-[[(2s)-1-[[(2s)-1-hydroxy-3-(1h-indol-3-yl)-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-4-phenylbutanoic acid
InChIKey PAPCSVADGJFRFM-HJOGWXRNSA-N
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