S-[(2,5,6-Trimethyl-1,7-Dioxo-1H,7H-Pyrazolo[1,2-A]Pyrazol-3-Yl)Methyl]-L-Cysteine

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Properties Simple | Detailed

Formula C13H17N3O4S
IUPAC Name (2r)-2-amino-3-[(1,2,6-trimethyl-3,5-dioxo-pyrazolo[1,2-a]pyrazole-4,8-diium-7-yl)methylsulfanyl]propanoic acid
Molecular Mass 311.357 g·mol−1
Heat of Formation -480.9 ± 16.7 kJ·mol−1
Dipole Moment 10.25 ± 1.08 D
Volume 355.83 Å 3
Surface Area 305.2 Å 2
HOMO Energy -8.94 ± 0.55 eV
LUMO Energy 2.01 ± eV
Point Group Symmetry C1
Synonyms
  • (2r)-2-amino-3-[(2,6,7-trimethyl-3,5-dioxo-1-pyrazolo[1,2-a]pyrazolyl)methylthio]propanoic acid
  • (2r)-2-amino-3-[(2,6,7-trimethyl-3,5-dioxo-pyrazolo[1,2-a]pyrazol-1-yl)methylsulfanyl]propanoic acid
  • (2r)-2-amino-3-[(3,5-diketo-2,6,7-trimethyl-pyrazolo[2,1-a]pyrazol-1-yl)methylthio]propionic acid
  • l-cysteine, s-((2,5,6-trimethyl-1,7-dioxo-1h,7h-pyrazolo(1,2-a)pyrazol-3-yl)methyl)-
  • s-bimane-l-cysteine
  • s-bimanylcysteine
CAS Number(s)
  • 87623-39-0
InChIKey NMURTHXSOSFFBJ-VIFPVBQESA-N
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