2-Ethoxyethyl [(2S,3S)-4-{(2S)-2-Benzyl-3-Oxo-4-[(3Ar,8R,8As)-2-Oxo-3,3A,8,8A-Tetrahydro-2H-Indeno[1,2-D][1,3]Oxazol-8-Yl]-2,3-Dihydro-1H-Pyrrol-2-Yl}-3-Hydroxy-1-Phenyl-2-Butanyl]Carbamate

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Properties Simple | Detailed

Formula C36H39N3O7
IUPAC Name 2-ethoxyethyl n-[(1s,2s)-3-[(2s)-4-[(3as,4r,8br)-2-oxo-1,3a,4,8b-tetrahydroindeno[1,2-d]oxazol-4-yl]-2-benzyl-3-oxo-1h-pyrrol-2-yl]-1-benzyl-2-hydroxy-propyl]carbamate
Molecular Mass 625.711 g·mol−1
Heat of Formation -942.3 ± 16.7 kJ·mol−1
Dipole Moment 4.02 ± 1.08 D
Volume 735.77 Å 3
Surface Area 550.87 Å 2
HOMO Energy -8.86 ± 0.55 eV
LUMO Energy -0.04 ± eV
Point Group Symmetry C1
Synonyms
  • 2-ethoxyethyl (1s,2s)-3-{(2s)-4-[(3as,8s,8ar)-2-oxo-3,3a,8,8a-tetrahydro-2h-indeno[1,2-d][1,3]oxazol-8-yl]-2-benzyl-3-oxo-2,3-dihydro-1h-pyrrol-2-yl}-1-benzyl-2-hydroxypropylcarbamate
  • 2-ethoxyethyl (2s,3s)-4-((s)-2-benzyl-3-oxo-4-((3ar,8r,8as)-2-oxo-3,3a,8,8a-tetrahydro-2h-indeno[1,2-d]oxazol-8-yl)-2,3-dihydro-1h-pyrrol-2-yl)-3-hydroxy-1-phenylbutan-2-ylcarbamate
  • 2-ethoxyethyl n-[(1s,2s)-3-[(2s)-4-[(3as,4r,8br)-2-oxo-1,3a,4,8b-tetrahydroindeno[3,2-d]oxazol-4-yl]-3-oxo-2-(phenylmethyl)-1h-pyrrol-2-yl]-2-hydroxy-1-(phenylmethyl)propyl]carbamate
  • 2-ethoxyethyl n-[(2s,3s)-4-[(2s)-4-[(3as,4r,8br)-2-oxo-1,3a,4,8b-tetrahydroindeno[3,2-d][1,3]oxazol-4-yl]-3-oxo-2-(phenylmethyl)-1h-pyrrol-2-yl]-3-hydroxy-1-phenyl-butan-2-yl]carbamate
  • 2-ethoxyethyl n-[(2s,3s)-4-[(2s)-4-[(3as,4r,8br)-2-oxo-1,3a,4,8b-tetrahydroindeno[3,2-d][1,3]oxazol-4-yl]-3-oxo-2-(phenylmethyl)-1h-pyrrol-2-yl]-3-hydroxy-1-phenylbutan-2-yl]carbamate
  • n-[(1s,2s)-3-[(2s)-4-[(3as,4r,8br)-2-oxo-1,3a,4,8b-tetrahydroindeno[3,2-d]oxazol-4-yl]-3-oxo-2-(phenylmethyl)-1h-pyrrol-2-yl]-2-hydroxy-1-(phenylmethyl)propyl]carbamic acid 2-ethoxyethyl ester
InChIKey CGBRFCVAMLJVEA-ZGURCIGKSA-N
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