(2S,5S,8S,11S,15S)-5-Benzyl-15-Ethyl-8-Isopropyl-2,6,9,11-Tetramethyl-12-Oxa-20-Thia-3,6,9,16,21-Pentaazabicyclo[16.2.1]Henicosa-1(21),18-Diene-4,7,10,13,17-Pentone

Molecule SVG Image

Properties Simple | Detailed

Formula C30H41N5O6S
IUPAC Name (2s,5s,8s,11s,15s)-5-benzyl-15-ethyl-8-isopropyl-2,6,9,11-tetramethyl-12-oxa-20-thia-3,6,9,16,21-pentazabicyclo[16.2.1]henicosa-1(21),18-diene-4,7,10,13,17-pentone
Molecular Mass 599.741 g·mol−1
Heat of Formation -941.4 ± 16.7 kJ·mol−1
Dipole Moment 6.12 ± 1.08 D
Volume 738.17 Å 3
Surface Area 525.45 Å 2
HOMO Energy -9.08 ± 0.55 eV
LUMO Energy -0.83 ± eV
Point Group Symmetry C1
Synonyms
  • (2s,5s,8s,11s,15s)-15-ethyl-8-isopropyl-2,6,9,11-tetramethyl-5-(phenylmethyl)-12-oxa-20-thia-3,6,9,16,21-pentazabicyclo[16.2.1]henicosa-1(21),18-diene-4,7,10,13,17-pentone
  • (2s,5s,8s,11s,15s)-5-(benzyl)-15-ethyl-8-isopropyl-2,6,9,11-tetramethyl-12-oxa-20-thia-3,6,9,16,21-pentazabicyclo[16.2.1]henicosa-1(21),18-diene-4,7,10,13,17-pentone
  • 12-oxa-20-thia-3,6,9,16,21-pentaazabicyclo[16.2.1]heneicosa-1(21),18-diene-4,7,10,13,17-pentone, 15-ethyl-2,6,9,11-tetramethyl-8-(1-methylethyl)-5-(phenylmethyl)-, (2s,5s,8s,11s,15s)-
  • 5-benzyl-15-ethyl-8-isopropyl-2,6,9,11-tetramethyl-12-oxa-20-thia-3,6,9,16,21-pentaaza-bicyclo[16.2.1]henicosa-1(21),18-diene-4,7,10,13,17-pentaone
  • obyanamide
  • rel-(2r,5r,8r,11r,15r)-5-benzyl-15-ethyl-8-isopropyl-2,6,9,11-tetramethyl-12-oxa-20-thia-3,6,9,16,21-pentaazabicyclo[16.2.1]henicosa-1(21),18-diene-4,7,10,13,17-pentone
InChIKey HTERYHQTEBIQTA-USLAZGEGSA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H S C O N