N-(4-Nitrophenyl)-5-[(3As,4S,6Ar)-2-Oxohexahydro-1H-Thieno[3,4-D]Imidazol-4-Yl]Pentanamide

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Properties Simple | Detailed

Formula C16H20N4O4S
IUPAC Name 5-[(3as,4s,6ar)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]-n-(4-nitrophenyl)pentanamide
Molecular Mass 364.419 g·mol−1
Heat of Formation -314.4 ± 16.7 kJ·mol−1
Dipole Moment 10.74 ± 1.08 D
Volume 409.94 Å 3
Surface Area 375.73 Å 2
HOMO Energy -9.18 ± 0.55 eV
LUMO Energy 1.76 ± eV
Point Group Symmetry C1
Synonyms
  • 5-(2-oxo-hexahydro-thieno[3,4-d]imidazol-6-yl)-pentanoic acid (4-nitro-phenyl)-amide
  • 5-[(3ar,6s,6as)-2-keto-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-6-yl]-n-(4-nitrophenyl)valeramide
  • biotinyl p-nitroaniline
  • bni
InChIKey PORZMUYPQKOFQY-YDHLFZDLSA-N
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