(4R,5S,6S,7R)-1-[(3-Amino-1H-Indazol-5-Yl)Methyl]-3,4,7-Tribenzyl-5,6-Dihydroxy-1,3-Diazepan-2-One

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Properties Simple | Detailed

Formula C34H33N5O3
IUPAC Name 3-[[(4r,5s,6s,7r)-5,6-dihydroxy-2-oxo-3,4,7-tris(phenylmethyl)-1,3-diazepan-1-yl]methyl]benzene-5,6-diide-1-carbonitrile; molecular nitrogen
Molecular Mass 559.658 g·mol−1
Heat of Formation -53.8 ± 16.7 kJ·mol−1
Dipole Moment 2.70 ± 1.08 D
Volume 667.97 Å 3
Surface Area 477.5 Å 2
HOMO Energy -8.33 ± 0.55 eV
LUMO Energy 2.46 ± eV
Point Group Symmetry C1
Synonyms
  • (4r,5s,6s,7r)-1-[(3-amino-1h-indazol-5-yl)methyl]-3,4,7-tris(benzyl)-5,6-dihydroxy-1,3-diazepan-2-one
  • (4r,5s,6s,7r)-1-[(3-amino-1h-indazol-5-yl)methyl]-5,6-dihydroxy-3,4,7-tris(phenylmethyl)-1,3-diazepan-2-one
  • (5s,6s,4r,7r)-1-[(3-amino(1h-indazol-5-yl))methyl]-5,6-dihydroxy-3,4,7-trisbenzyl-1,3-diazaperhydroepin-2-one
  • dmp 850
InChIKey NTWKGLJNQAZSHF-ZRTHHSRSSA-N
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