(3S)-N-[2-(Benzylamino)-2-Oxoethyl]-2-(2,6-Dimethyl-L-Tyrosyl)-1,2,3,4-Tetrahydro-3-Isoquinolinecarboxamide

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Properties Simple | Detailed

Formula C30H34N4O4
IUPAC Name (3s)-2-[(2s)-2-amino-3-(4-hydroxy-2,6-dimethyl-phenyl)propanoyl]-n-[2-(benzylamino)-2-oxo-ethyl]-3,4-dihydro-1h-isoquinoline-3-carboxamide
Molecular Mass 514.615 g·mol−1
Heat of Formation -524.1 ± 16.7 kJ·mol−1
Dipole Moment 7.10 ± 1.08 D
Volume 635.1 Å 3
Surface Area 478.73 Å 2
HOMO Energy -8.71 ± 0.55 eV
LUMO Energy -0.06 ± eV
Point Group Symmetry C1
Synonyms
  • (3s)-2-[(2s)-2-amino-3-(4-hydroxy-2,6-dimethyl-phenyl)propanoyl]-n-[2-(benzylamino)-2-keto-ethyl]-3,4-dihydro-1h-isoquinoline-3-carboxamide
  • (3s)-2-[(2s)-2-amino-3-(4-hydroxy-2,6-dimethyl-phenyl)propanoyl]-n-[2-oxo-2-(phenylmethylamino)ethyl]-3,4-dihydro-1h-isoquinoline-3-carboxamide
  • (3s)-2-[(2s)-2-amino-3-(4-hydroxy-2,6-dimethylphenyl)-1-oxopropyl]-n-[2-oxo-2-(phenylmethylamino)ethyl]-3,4-dihydro-1h-isoquinoline-3-carboxamide
  • (3s)-2-[(2s)-2-amino-3-(4-hydroxy-2,6-dimethylphenyl)propanoyl]-n-[2-oxo-2-(phenylmethylamino)ethyl]-3,4-dihydro-1h-isoquinoline-3-carboxamide
InChIKey SYOVEDOWOXNOJG-SVBPBHIXSA-N
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