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

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Properties Simple | Detailed

Formula C31H37N5O3
IUPAC Name (4r,5s,6s,7r)-1-[(3-amino-1h-indazol-5-yl)methyl]-4,7-dibenzyl-3-butyl-5,6-dihydroxy-1,3-diazepan-2-one
Molecular Mass 527.657 g·mol−1
Heat of Formation -200.9 ± 16.7 kJ·mol−1
Dipole Moment 1.87 ± 1.08 D
Volume 652.87 Å 3
Surface Area 502.48 Å 2
HOMO Energy -8.26 ± 0.55 eV
LUMO Energy -0.40 ± eV
Point Group Symmetry C1
Synonyms
  • (4r,5s,6s,7r)-1-[(3-amino-1h-indazol-5-yl)methyl]-3-butyl-5,6-dihydroxy-4,7-bis(phenylmethyl)-1,3-diazepan-2-one
  • (4r,5s,6s,7r)-1-[(3-amino-1h-indazol-5-yl)methyl]-4,7-bis(benzyl)-3-butyl-5,6-dihydroxy-1,3-diazepan-2-one
  • (5s,6s,4r,7r)-1-[(3-amino(1h-indazol-5-yl))methyl]-4,7-bisbenzyl-3-butyl-5,6-dihydroxy-1,3-diazaperhydroepin-2-one
  • dmp 851
  • dmp-851
  • xq-443
InChIKey CGEJBZXGNPASAG-GKQHHHCTSA-N
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