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

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Properties Simple | Detailed

Formula C16H30N6O3S
IUPAC Name 5-[(3as,4s,6ar)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]-n-[(5s)-5-amino-6-hydrazino-6-oxo-hexyl]pentanamide
Molecular Mass 386.513 g·mol−1
Heat of Formation -577.8 ± 16.7 kJ·mol−1
Dipole Moment 8.19 ± 1.08 D
Volume 473.36 Å 3
Surface Area 373.04 Å 2
HOMO Energy -8.51 ± 0.55 eV
LUMO Energy 0.03 ± 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-[(5s)-5-amino-6-hydrazino-6-keto-hexyl]valeramide
  • 5-[(3ar,6s,6as)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-6-yl]-n-[(5s)-5-amino-6-hydrazino-6-oxo-hexyl]pentanamide
  • 5-[(3ar,6s,6as)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-6-yl]-n-[(5s)-5-amino-6-hydrazino-6-oxohexyl]pentanamide
  • 5-[(3ar,6s,6as)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-6-yl]-n-[(5s)-5-amino-6-hydrazinyl-6-oxo-hexyl]pentanamide
  • bchz
  • biocytin hydrazide
  • nepsilon-()-biotinyl-l-lysine hydrazide
CAS Number(s)
  • 102743-85-1
InChIKey XSXHTPJCSHZYFJ-MNXVOIDGSA-N
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