3-{[(3R,4S,5S,6R)-7-Benzyl-4,5-Dihydroxy-1,1-Dioxido-3,6-Bis(Phenoxymethyl)-1,2,7-Thiadiazepan-2-Yl]Methyl}-N-Methylbenzamide

Molecule SVG Image

Properties Simple | Detailed

Formula C34H37N3O7S
IUPAC Name 3-[[(2r,3r,4s,5s,6r,7r)-7-benzyl-4,5-dihydroxy-1,1-dioxo-3,6-bis(phenoxymethyl)-1,2,7-thiadiazepan-2-yl]methyl]-n-methyl-benzamide
Molecular Mass 631.738 g·mol−1
Heat of Formation -749.5 ± 16.7 kJ·mol−1
Dipole Moment 6.92 ± 1.08 D
Volume 718.74 Å 3
Surface Area 551.98 Å 2
HOMO Energy -8.94 ± 0.55 eV
LUMO Energy -0.10 ± eV
Point Group Symmetry C1
Synonyms
  • 3-(7-benzyl-4,5-dihydroxy-1,1-dioxo-3,6-bis-phenoxymethyl-1l6-[1,2,7]thiadiazepan-2-ylmethyl)-n-methyl-benzamide
  • 3-[[(3r,4s,5s,6r)-4,5-dihydroxy-1,1-dioxo-3,6-bis(phenoxymethyl)-7-(phenylmethyl)-1,2,7-thiadiazepan-2-yl]methyl]-n-methyl-benzamide
  • 3-[[(3r,4s,5s,6r)-4,5-dihydroxy-1,1-dioxo-3,6-bis(phenoxymethyl)-7-(phenylmethyl)-1,2,7-thiadiazepan-2-yl]methyl]-n-methylbenzamide
  • 3-[[(3r,4s,5s,6r)-7-(benzyl)-4,5-dihydroxy-1,1-diketo-3,6-bis(phenoxymethyl)-1,2,7-thiadiazepan-2-yl]methyl]-n-methyl-benzamide
  • benzamide, n-methyl-3-[[(3r,4s,5s,6r)-tetrahydro-4,5-dihydroxy-1,1-dioxido-3,6-bis(phenoxymethyl)-7-(phenylmethyl)-1,2,7-thiadiazepin-2(3h)-yl]methyl]-
  • nm1
InChIKey CGBDAHCDSVOMCF-FYZVQMPESA-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