Ranyl Ester

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Properties Simple | Detailed

Formula C37H41N3O6
IUPAC Name [(3s)-tetrahydrofuran-3-yl] n-[(1s,2s)-3-[(2s)-4-[(1r,3r)-3-(2-amino-2-oxo-ethyl)indan-1-yl]-2-benzyl-3-oxo-1h-pyrrol-2-yl]-1-benzyl-2-hydroxy-propyl]carbamate
Molecular Mass 623.738 g·mol−1
Heat of Formation -845.5 ± 16.7 kJ·mol−1
Dipole Moment 6.57 ± 1.08 D
Volume 771.28 Å 3
Surface Area 553.16 Å 2
HOMO Energy -8.95 ± 0.55 eV
LUMO Energy -0.20 ± eV
Point Group Symmetry C1
Synonyms
  • (3s)-tetrahydrofuran-3-yl (1r)-3-{(2r)-4-[(1s,3s)-3-(2-amino-2-oxoethyl)-2,3-dihydro-1h-inden-1-yl]-2-benzyl-3-oxo-2,3-dihydro-1h-pyrrol-2-yl}-1-benzyl-2-hydroxypropylcarbamate
  • (s)-tetrahydrofuran-3-yl (2s,3s)-4-((s)-4-((1r,3r)-3-(2-amino-2-oxoethyl)-2,3-dihydro-1h-inden-1-yl)-2-benzyl-3-oxo-2,3-dihydro-1h-pyrrol-2-yl)-3-hydroxy-1-phenylbutan-2-ylcarbamate
  • [(3s)-oxolan-3-yl] n-[(2s,3s)-4-[(2s)-4-[(1r,3r)-3-(2-amino-2-oxo-ethyl)-2,3-dihydro-1h-inden-1-yl]-3-oxo-2-(phenylmethyl)-1h-pyrrol-2-yl]-3-hydroxy-1-phenyl-butan-2-yl]carbamate
  • [(3s)-oxolan-3-yl] n-[(2s,3s)-4-[(2s)-4-[(1r,3r)-3-(2-amino-2-oxoethyl)-2,3-dihydro-1h-inden-1-yl]-3-oxo-2-(phenylmethyl)-1h-pyrrol-2-yl]-3-hydroxy-1-phenylbutan-2-yl]carbamate
  • [(3s)-tetrahydrofuran-3-yl] n-[(1s,2s)-3-[(2s)-4-[(1r,3r)-3-(2-amino-2-oxo-ethyl)indan-1-yl]-3-oxo-2-(phenylmethyl)-1h-pyrrol-2-yl]-2-hydroxy-1-(phenylmethyl)propyl]carbamate
  • n-[(1s,2s)-3-[(2s)-4-[(1r,3r)-3-(2-amino-2-keto-ethyl)indan-1-yl]-2-(benzyl)-3-keto-2-pyrrolin-2-yl]-1-(benzyl)-2-hydroxy-propyl]carbamic acid [(3s)-tetrahydrofuran-3-yl] ester
  • n-[(1s,2s)-3-[(2s)-4-[(1r,3r)-3-(2-amino-2-oxoethyl)-1-indanyl]-3-oxo-2-(phenylmethyl)-1h-pyrrol-2-yl]-2-hydroxy-1-(phenylmethyl)propyl]carbamic acid [(3s)-3-tetrahydrofuranyl] ester
InChIKey SYNSHNDQFWMLJW-YZGRCXSVSA-N
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