Diphenylmethyl (4S,7S,12Br)-7-{[(2S)-1-Ethoxy-1-Oxo-4-Phenyl-2-Butanyl]Amino}-6-Oxo-1,2,3,4,6,7,8,12B-Octahydropyrido[2,1-A][2]Benzazepine-4-Carboxylate

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Properties Simple | Detailed

Formula C40H42N2O5
IUPAC Name di(phenyl)methyl (4s,7s,12br)-7-[[(2s)-1-ethoxy-1-oxo-4-phenylbutan-2-yl]amino]-6-oxo-2,3,4,7,8,12b-hexahydro-1h-pyrido[6,1-a][2]benzazepine-4-carboxylate
Molecular Mass 630.772 g·mol−1
Heat of Formation -588.6 ± 16.7 kJ·mol−1
Dipole Moment 3.30 ± 1.08 D
Volume 769.81 Å 3
Surface Area 560.8 Å 2
HOMO Energy -9.08 ± 0.55 eV
LUMO Energy 2.99 ± eV
Point Group Symmetry C1
Synonyms
  • (4s,7s,12br)-7-[[(1s)-1-carbethoxy-3-phenyl-propyl]amino]-6-keto-2,3,4,7,8,12b-hexahydro-1h-pyrido[6,1-a][2]benzazepine-4-carboxylic acid di(phenyl)methyl ester
  • (4s,7s,12br)-7-[[(1s)-1-ethoxycarbonyl-3-phenylpropyl]amino]-6-oxo-2,3,4,7,8,12b-hexahydro-1h-pyrido[6,1-a][2]benzazepine-4-carboxylic acid di(phenyl)methyl ester
  • di(phenyl)methyl (4s,7s,12br)-7-[[(1s)-1-ethoxycarbonyl-3-phenyl-propyl]amino]-6-oxo-2,3,4,7,8,12b-hexahydro-1h-pyrido[6,1-a][2]benzazepine-4-carboxylate
  • di(phenyl)methyl (4s,7s,12br)-7-[[(2s)-1-ethoxy-1-oxo-4-phenyl-butan-2-yl]amino]-6-oxo-2,3,4,7,8,12b-hexahydro-1h-pyrido[6,1-a][2]benzazepine-4-carboxylate
InChIKey URWBECZAEJDEIE-KFIZHRIMSA-N
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