N-{[(3R,5R)-7-Chloro-1-(2,2-Dimethylpropyl)-5-(1-Naphthyl)-2-Oxo-1,2,3,5-Tetrahydro-4,1-Benzoxazepin-3-Yl]Acetyl}-L-Aspartic Acid

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Properties Simple | Detailed

Formula C30H31ClN2O7
IUPAC Name (2s)-2-[[2-[(3r,5r)-7-chloro-1-(2,2-dimethylpropyl)-5-(1-naphthyl)-2-oxo-5h-4,1-benzoxazepin-3-yl]acetyl]amino]butanedioic acid
Molecular Mass 567.029 g·mol−1
Heat of Formation -1167.7 ± 16.7 kJ·mol−1
Dipole Moment 7.78 ± 1.08 D
Volume 651.41 Å 3
Surface Area 481.07 Å 2
HOMO Energy -9.24 ± 0.55 eV
LUMO Energy 2.02 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-2-[2-[(3r,5r)-7-chloro-1-(2,2-dimethylpropyl)-5-naphthalen-1-yl-2-oxo-5h-4,1-benzoxazepin-3-yl]ethanoylamino]butanedioic acid
  • (2s)-2-[[2-[(3r,5r)-7-chloro-1-(2,2-dimethylpropyl)-5-(1-naphthyl)-2-oxo-5h-4,1-benzoxazepin-3-yl]-1-oxoethyl]amino]butanedioic acid
  • (2s)-2-[[2-[(3r,5r)-7-chloro-1-(2,2-dimethylpropyl)-5-(1-naphthyl)-2-oxo-5h-4,1-benzoxazepin-3-yl]acetyl]amino]butanedioic acid
  • (2s)-2-[[2-[(3r,5r)-7-chloro-1-(2,2-dimethylpropyl)-5-naphthalen-1-yl-2-oxo-5h-4,1-benzoxazepin-3-yl]acetyl]amino]butanedioic acid
  • (2s)-2-[[2-[(3r,5r)-7-chloro-2-keto-5-(1-naphthyl)-1-neopentyl-5h-4,1-benzoxazepin-3-yl]acetyl]amino]succinic acid
  • cp-320473
  • in0
  • n-{2-[trans-7-chloro-1-(2,2-dimethyl-propyl) -5-naphthalen-1-yl-2-oxo-1,2,3,5-tetrahydro-benzo[e] [1,4]oxazepin-3-yl]-acetyl}-aspartic acid
InChIKey GXDQAFKUUPODFF-CAKYRVLISA-N
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