N-{[(3S)-2-(L-Tyrosyl)-1,2,3,4-Tetrahydro-3-Isoquinolinyl]Carbonyl}-L-Phenylalanyl-L-Phenylalanine

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Properties Simple | Detailed

Formula C37H38N4O6
IUPAC Name (2s)-2-[[(2s)-2-[[(3s)-2-[(2s)-2-amino-3-(4-hydroxyphenyl)propanoyl]-3,4-dihydro-1h-isoquinoline-3-carbonyl]amino]-3-phenyl-propanoyl]amino]-3-phenyl-propanoic acid
Molecular Mass 634.721 g·mol−1
Heat of Formation -754.1 ± 16.7 kJ·mol−1
Dipole Moment 3.97 ± 1.08 D
Volume 801.1 Å 3
Surface Area 522.31 Å 2
HOMO Energy -8.90 ± 0.55 eV
LUMO Energy 0.18 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-2-[[(2s)-2-[[(3s)-2-[(2s)-2-amino-3-(4-hydroxyphenyl)propanoyl]-3,4-dihydro-1h-isoquinolin-3-yl]carbonylamino]-3-phenyl-propanoyl]amino]-3-phenyl-propanoic acid
  • (2s)-2-[[(2s)-2-[[(3s)-2-[(2s)-2-amino-3-(4-hydroxyphenyl)propanoyl]3,4-dihydro-1h-isoquinoline-3-carbonyl]amino]-3-phenyl-propanoyl]amino]-3-phenyl-propanoic acid
  • (2s)-2-[[(2s)-2-[[(3s)-2-[(2s)-2-amino-3-(4-hydroxyphenyl)propanoyl]3,4-dihydro-1h-isoquinoline-3-carbonyl]amino]-3-phenyl-propanoyl]amino]-3-phenyl-propionic acid
  • (2s)-2-[[(2s)-2-[[(3s)-2-[(2s)-2-amino-3-(4-hydroxyphenyl)propanoyl]3,4-dihydro-1h-isoquinoline-3-carbonyl]amino]-3-phenylpropanoyl]amino]-3-phenylpropanoic acid
  • (2s)-2-[[(2s)-2-[[[(3s)-2-[(2s)-2-amino-3-(4-hydroxyphenyl)-1-oxopropyl]-3,4-dihydro-1h-isoquinolin-3-yl]-oxomethyl]amino]-1-oxo-3-phenylpropyl]amino]-3-phenylpropanoic acid
  • h-tyr-tic-phe-phe-oh
  • l-alanine, n-[[(3s)-2-[(2s)-2-amino-3-(4-hydroxyphenyl)-1-oxopropyl]-1,2,3,4-tetrahydro-3-isoquinolinyl]carbonyl]-3-phenyl-l-alanyl-3-phenyl-
  • l-phenylalanine, l-tyrosyl-(3s)-1,2,3,4-tetrahydro-3-isoquinolinecarbonyl-l-phenylalanyl- (9ci)
  • l-tyrosyl-l-1,2,3,4-tetrahydro-3-isoquinolinecarbonyl-l- phenylalanyl-l-phenylalanine
  • tipp (opioid antagonist)
  • tyrosyl-1,2,3,4-tetrahydro-3-isoquinolinecarbonyl- phenylalanyl-phenylalanine
InChIKey JYOUATXRHWNDDW-YRCZKMHPSA-N
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