N2-((3S)-1-(Carboxymethyl)-2-Oxo-2,3,4,5-Tetrahydro-1H-1-Benzazepin-3-Yl)-L-Lysine

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Formula C18H25N3O5
IUPAC Name (2s)-6-amino-2-[[(3s)-1-(carboxymethyl)-2-oxo-4,5-dihydro-3h-1-benzazepin-3-yl]amino]hexanoic acid
Molecular Mass 363.408 g·mol−1
Heat of Formation -857.9 ± 16.7 kJ·mol−1
Dipole Moment 4.49 ± 1.08 D
Volume 441.8 Å 3
Surface Area 369.81 Å 2
HOMO Energy -9.02 ± 0.55 eV
LUMO Energy -0.25 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-6-amino-2-[[(3s)-1-(carboxymethyl)-2-keto-4,5-dihydro-3h-1-benzazepin-3-yl]amino]hexanoic acid
  • (2s)-6-amino-2-[[(3s)-1-(carboxymethyl)-2-oxo-4,5-dihydro-3h-1-benzazepin-3-yl]amino]hexanoic acid
  • 1h-1-benzazepine-1-acetic acid, 3-((5-amino-1-carboxypentyl)amino)-2,3,4,5-tetrahydro-2-oxo-, (s-(r*,r*))
  • d03758
CAS Number(s)
  • 109214-55-3
InChIKey AXTCRUUITQKBAV-KBPBESRZSA-N
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