(2S,2'S)-3,3'-[Disulfanediylbis(1-Methyl-1H-Imidazole-4,5-Diyl)]Bis(2-Aminopropanoic Acid)

Molecule SVG Image

Properties Simple | Detailed

Formula C14H20N6O4S2
IUPAC Name (2s)-2-amino-3-[5-[[5-[(2s)-2-amino-2-carboxy-ethyl]-1-methyl-imidazol-1-ium-5-ylium-4-yl]disulfanyl]-3-methyl-imidazol-4-yl]propanoic acid
Molecular Mass 400.476 g·mol−1
Heat of Formation -549.3 ± 16.7 kJ·mol−1
Dipole Moment 6.62 ± 1.08 D
Volume 445.48 Å 3
Surface Area 356.09 Å 2
HOMO Energy -8.08 ± 0.55 eV
LUMO Energy -0.71 ± eV
Point Group Symmetry C2
Synonyms
  • (2s)-2-amino-3-[5-[5-[(2s)-2-amino-3-hydroxy-3-keto-propyl]-1-methyl-imidazol-4-yl]disulfanyl-3-methyl-imidazol-4-yl]propionic acid
  • (2s)-2-amino-3-[5-[5-[(2s)-2-amino-3-hydroxy-3-oxo-propyl]-1-methyl-imidazol-4-yl]disulfanyl-3-methyl-imidazol-4-yl]propanoic acid
  • (2s)-2-amino-3-[5-[5-[(2s)-2-amino-3-hydroxy-3-oxopropyl]-1-methylimidazol-4-yl]disulfanyl-3-methylimidazol-4-yl]propanoic acid
  • (2s)-2-amino-3-[5-[[5-[(2s)-2-amino-3-hydroxy-3-oxopropyl]-1-methyl-4-imidazolyl]disulfanyl]-3-methyl-4-imidazolyl]propanoic acid
  • 1-n-methyl-4-mercaptohistidine disulfide
  • 2-amino-3-{5-[5-(2-amino-2-carboxy-ethyl)-1-methyl-1h-imidazol-4-yldisulfanyl]-3-methyl-3h-imidazol-4-yl}-propionic acid
  • 2h,12h-6,12a-epoxy-2,7a-methanoindolo[2,3-a]quinolizine-14-carboxylic acid, 3-ethylidene-1,3,4,6,7,12b-hexahydro-, methyl ester, (2s,3e,6s,12ar,12bs)-
  • 3,3'-[dithiobis(1-methyl-1h-imidazole-4,5-diyl)]bis(2-aminopropanoic acid) (non-preferred name)
  • mmhds
  • ovothiol a disulfide
CAS Number(s)
  • 122174-39-4
  • 73491-33-5
InChIKey NRGVZXSKWPQYMK-YUMQZZPRSA-N
QR Code Generate QR Code
Links PubChem ChemSpider
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H S C O N