6-(2,5-Dioxo-2,5-Dihydro-1H-Pyrrol-1-Yl)-N'-{5-[(3As,4S,6Ar)-2-Oxohexahydro-1H-Thieno[3,4-D]Imidazol-4-Yl]Pentanoyl}Hexanehydrazide

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Properties Simple | Detailed

Formula C20H29N5O5S
IUPAC Name n'-[5-[(3as,4s,6ar)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoyl]-6-(2,5-dioxopyrrol-1-yl)hexanehydrazide
Molecular Mass 451.540 g·mol−1
Heat of Formation -778.1 ± 16.7 kJ·mol−1
Dipole Moment 4.07 ± 1.08 D
Volume 551.49 Å 3
Surface Area 401.28 Å 2
HOMO Energy -8.64 ± 0.55 eV
LUMO Energy -1.09 ± eV
Point Group Symmetry C1
Synonyms
  • bmhh
  • n'-[5-[(3ar,6s,6as)-2-keto-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-6-yl]pentanoyl]-6-maleimido-hexanohydrazide
  • n'-[5-[(3ar,6s,6as)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-6-yl]-1-oxopentyl]-6-(2,5-dioxo-1-pyrrolyl)hexanehydrazide
  • n-biotinoyl-n'-(maleimidohexanoyl)hydrazine
CAS Number(s)
  • 116919-18-7
InChIKey VAPZWEFPQRDVHR-NJSLBKSFSA-N
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