N-{4-[(1,4-Dioxo-1,2,3,4-Tetrahydro-6-Phthalazinyl)(Ethyl)Amino]Butyl}-5-[(3As,4S,6Ar)-2-Oxohexahydro-1H-Thieno[3,4-D]Imidazol-4-Yl]Pentanamide

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Properties Simple | Detailed

Formula C24H34N6O4S
IUPAC Name 5-[(3as,4s,6ar)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]-n-[4-[(1,4-dioxo-2,3-dihydrophthalazin-6-yl)-ethyl-amino]butyl]pentanamide
Molecular Mass 502.630 g·mol−1
Heat of Formation -663.0 ± 16.7 kJ·mol−1
Dipole Moment 7.04 ± 1.08 D
Volume 596.16 Å 3
Surface Area 404.3 Å 2
HOMO Energy -8.47 ± 0.55 eV
LUMO Energy 1.99 ± eV
Point Group Symmetry C1
Synonyms
  • 5-[(3ar,6s,6as)-2-keto-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-6-yl]-n-[4-[(1,4-diketo-2,3-dihydrophthalazin-6-yl)-ethyl-amino]butyl]valeramide
  • 5-[(3ar,6s,6as)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-6-yl]-n-[4-[(1,4-dioxo-2,3-dihydrophthalazin-6-yl)-ethyl-amino]butyl]pentanamide
  • abei-biotin
  • aminobutylethylisoluminol-biotin
CAS Number(s)
  • 103612-64-2
InChIKey RDSBJKHVYBXJAU-ZJOUEHCJSA-N
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