3-Amino-N-[(4S,6S,7S)-7-{[(2,6-Dimethylphenoxy)Acetyl]Amino}-6-Hydroxy-2-Methyl-8-Phenyl-4-Octanyl]Benzamide

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Properties Simple | Detailed

Formula C32H41N3O4
IUPAC Name 3-amino-n-[(1s,3s,4s)-4-[[2-(2,6-dimethylphenoxy)acetyl]amino]-3-hydroxy-1-isobutyl-5-phenyl-pentyl]benzamide
Molecular Mass 531.686 g·mol−1
Heat of Formation -656.7 ± 16.7 kJ·mol−1
Dipole Moment 5.10 ± 1.08 D
Volume 685.94 Å 3
Surface Area 537.34 Å 2
HOMO Energy -8.77 ± 0.55 eV
LUMO Energy -0.24 ± eV
Point Group Symmetry C1
Synonyms
  • 3-amino-n-[(1s,3s,4s)-4-[[2-(2,6-dimethylphenoxy)-1-oxoethyl]amino]-3-hydroxy-1-isobutyl-5-phenylpentyl]benzamide
  • 3-amino-n-[(1s,3s,4s)-4-[[2-(2,6-dimethylphenoxy)acetyl]amino]-3-hydroxy-1-isobutyl-5-phenyl-pentyl]benzamide
  • 3-amino-n-[(4s,6s,7s)-7-[2-(2,6-dimethylphenoxy)ethanoylamino]-6-hydroxy-2-methyl-8-phenyl-octan-4-yl]benzamide
  • 3-amino-n-[(4s,6s,7s)-7-[[2-(2,6-dimethylphenoxy)acetyl]amino]-6-hydroxy-2-methyl-8-phenyloctan-4-yl]benzamide
  • 4-amino-n-{4-[2-(2,6-dimethyl-phenoxy)-acetylamino]-3-hydroxy-1-isobutyl-5-phenyl-pentyl}-benzamide
  • r36
InChIKey WQUBEIMCFHCJCO-AWCRTANDSA-N
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