N~2~-[(1S)-1-Carboxy-3-Phenylpropyl]-L-Lysyl-L-Tryptophan

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Properties Simple | Detailed

Formula C27H34N4O5
IUPAC Name (2s)-2-[[(1s)-5-amino-1-[[(1s)-1-carboxy-2-(1h-indol-3-yl)ethyl]carbamoyl]pentyl]amino]-4-phenyl-butanoic acid
Molecular Mass 494.583 g·mol−1
Heat of Formation -788.4 ± 16.7 kJ·mol−1
Dipole Moment 5.02 ± 1.08 D
Volume 617.85 Å 3
Surface Area 480.0 Å 2
HOMO Energy -8.85 ± 0.55 eV
LUMO Energy -0.41 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-2-[[(1s)-5-amino-1-[[(1s)-2-hydroxy-1-(1h-indol-3-ylmethyl)-2-keto-ethyl]carbamoyl]pentyl]amino]-4-phenyl-butyric acid
  • (2s)-2-[[(1s)-5-amino-1-[[(1s)-2-hydroxy-1-(1h-indol-3-ylmethyl)-2-oxo-ethyl]carbamoyl]pentyl]amino]-4-phenyl-butanoic acid
  • (2s)-2-[[(1s)-5-amino-1-[[[(1s)-2-hydroxy-1-(1h-indol-3-ylmethyl)-2-oxoethyl]amino]-oxomethyl]pentyl]amino]-4-phenylbutanoic acid
  • (2s)-2-[[(2s)-6-amino-1-[[(2s)-1-hydroxy-3-(1h-indol-3-yl)-1-oxo-propan-2-yl]amino]-1-oxo-hexan-2-yl]amino]-4-phenyl-butanoic acid
  • (2s)-2-[[(2s)-6-amino-1-[[(2s)-1-hydroxy-3-(1h-indol-3-yl)-1-oxopropan-2-yl]amino]-1-oxohexan-2-yl]amino]-4-phenylbutanoic acid
InChIKey JXNGDSIPMBNTNL-HJOGWXRNSA-N
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