{(3S)-3-[({1-[(2R)-2-(Ethoxycarbonyl)-4-Phenylbutyl]Cyclopentyl}Carbonyl)Amino]-2-Oxo-2,3,4,5-Tetrahydro-1H-1-Benzazepin-1-Yl}Acetic Acid

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Properties Simple | Detailed

Formula C31H36N2O6
IUPAC Name 2-[(3s)-3-[[1-[(2r)-2-ethoxycarbonyl-4-phenylbutyl]cyclopentanecarbonyl]amino]-2-oxo-4,5-dihydro-3h-1-benzazepin-1-yl]acetic acid
Molecular Mass 532.627 g·mol−1
Heat of Formation -1083.0 ± 16.7 kJ·mol−1
Dipole Moment 1.52 ± 1.08 D
Volume 654.83 Å 3
Surface Area 501.65 Å 2
HOMO Energy -9.18 ± 0.55 eV
LUMO Energy 2.79 ± eV
Point Group Symmetry C1
Synonyms
  • 1h-1-benzazepine-1-acetic acid, 3-(((1-((2r)-2-(ethoxycarbonyl)-4-phenylbutyl)cyclopentyl)carbonyl)amino)-2,3,4,5-tetrahydro-2-oxo-, (3s)-
  • 1h-1-benzazepine-1-acetic acid, 3-(((1-(2-(ethoxycarbonyl)-4-phenylbutyl)cyclopentyl)carbonyl)amino)-2,3,4,5-tetrahydro-2-oxo-, (s-(r*,s*))-
  • 2-[(3s)-3-[[1-[(2r)-2-carbethoxy-4-phenyl-butyl]cyclopentanecarbonyl]amino]-2-keto-4,5-dihydro-3h-1-benzazepin-1-yl]acetic acid
  • 2-[(3s)-3-[[1-[(2r)-2-ethoxycarbonyl-4-phenyl-butyl]cyclopentanecarbonyl]amino]-2-oxo-4,5-dihydro-3h-1-benzazepin-1-yl]acetic acid
  • 2-[(3s)-3-[[1-[(2r)-2-ethoxycarbonyl-4-phenyl-butyl]cyclopentyl]carbonylamino]-2-oxo-4,5-dihydro-3h-1-benzazepin-1-yl]ethanoic acid
  • 2-[(3s)-3-[[[1-[(2r)-2-ethoxycarbonyl-4-phenylbutyl]cyclopentyl]-oxomethyl]amino]-2-oxo-4,5-dihydro-3h-1-benzazepin-1-yl]acetic acid
  • daglutril
  • slv-306
CAS Number(s)
  • 182821-27-8
InChIKey XMQODGUTLZXUGZ-RPBOFIJWSA-N
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