N~6~-{5-[(3As,4S,6Ar)-2-Oxohexahydro-1H-Thieno[3,4-D]Imidazol-4-Yl]Pentanoyl}-L-Lysinamide

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Properties Simple | Detailed

Formula C16H29N5O3S
IUPAC Name (2s)-6-[5-[(3as,4s,6ar)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoylamino]-2-amino-hexanamide
Molecular Mass 371.498 g·mol−1
Heat of Formation -680.2 ± 16.7 kJ·mol−1
Dipole Moment 6.28 ± 1.08 D
Volume 473.33 Å 3
Surface Area 364.49 Å 2
HOMO Energy -9.22 ± 0.55 eV
LUMO Energy -0.69 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-6-[5-[(3ar,6s,6as)-2-keto-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-6-yl]pentanoylamino]-2-amino-hexanamide
  • (2s)-6-[5-[(3ar,6s,6as)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-6-yl]pentanoylamino]-2-amino-hexanamide
  • (2s)-6-[5-[(3ar,6s,6as)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-6-yl]pentanoylamino]-2-aminohexanamide
  • (2s)-6-[[5-[(3ar,6s,6as)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-6-yl]-1-oxopentyl]amino]-2-aminohexanamide
  • 1h-thieno(3,4-d)imidazole-4-pentanamide, n-(5,6-diamino-6-oxohexyl)hexahydro-2-oxo-, (3as-(3aalpha,4beta(r*),6aalpha))-
  • biocytinamide
CAS Number(s)
  • 61125-53-9
InChIKey BFTIPPVTTJTHLM-MNXVOIDGSA-N
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