N-{(3R)-1-Chloro-6-[(Diaminomethylene)Amino]-2-Oxo-3-Hexanyl}-5-[(3As,4S,6Ar)-2-Oxohexahydro-1H-Thieno[3,4-D]Imidazol-4-Yl]Pentanamide

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Properties Simple | Detailed

Formula C17H29ClN6O3S
IUPAC Name 5-[(3as,4s,6ar)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]-n-[(1r)-1-(2-chloroacetyl)-4-guanidino-butyl]pentanamide
Molecular Mass 432.969 g·mol−1
Heat of Formation -598.6 ± 16.7 kJ·mol−1
Dipole Moment 7.56 ± 1.08 D
Volume 519.48 Å 3
Surface Area 425.21 Å 2
HOMO Energy -9.02 ± 0.55 eV
LUMO Energy -0.53 ± eV
Point Group Symmetry C1
Synonyms
  • 1h-thieno(3,4-d)imidazole-4-pentanamide, n-(4-((aminoiminomethyl)amino)-1-(chloroacetyl)butyl)hexahydro-2-oxo-, (3as-(3aalpha,4beta(r*),6aalpha))-
  • bio-arg-ch2cl
  • biotinylarginylchloromethane
CAS Number(s)
  • 142009-29-8
InChIKey RIYCJPZSFRVCIE-MPXAEWJHSA-N
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