Adh-1

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Formula C22H34N8O6S2
IUPAC Name (4r,7s,10s,13s,16r)-16-acetamido-13-(1h-imidazol-5-ylmethyl)-7-isopropyl-10-methyl-6,9,12,15-tetraoxo-1,2-dithia-5,8,11,14-tetrazacycloheptadecane-4-carboxamide
Molecular Mass 570.685 g·mol−1
Heat of Formation -1062.6 ± 16.7 kJ·mol−1
Dipole Moment 6.84 ± 1.08 D
Volume 673.63 Å 3
Surface Area 503.94 Å 2
HOMO Energy -8.70 ± 0.55 eV
LUMO Energy -0.81 ± eV
Point Group Symmetry C1
Synonyms
  • (4r,7s,10s,13s,16r)-16-acetamido-13-(3h-imidazol-4-ylmethyl)-7-isopropyl-10-methyl-6,9,12,15-tetraoxo-1,2-dithia-5,8,11,14-tetrazacycloheptadecane-4-carboxamide
  • (4r,7s,10s,13s,16r)-16-acetamido-13-(3h-imidazol-4-ylmethyl)-7-isopropyl-6,9,12,15-tetraketo-10-methyl-1,2-dithia-5,8,11,14-tetrazacycloheptadecane-4-carboxamide
InChIKey FQVLRGLGWNWPSS-BXBUPLCLSA-N
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