Azumamide E

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Properties Simple | Detailed

Formula C27H38N4O6
IUPAC Name (z)-6-[(2r,5r,8r,11r,12s)-8-benzyl-2-isopropyl-5,12-dimethyl-3,6,9,13-tetraoxo-1,4,7,10-tetrazacyclotridec-11-yl]hex-4-enoic acid
Molecular Mass 514.614 g·mol−1
Heat of Formation -1136.4 ± 16.7 kJ·mol−1
Dipole Moment 10.19 ± 1.08 D
Volume 647.61 Å 3
Surface Area 493.25 Å 2
HOMO Energy -9.61 ± 0.55 eV
LUMO Energy 0.03 ± eV
Point Group Symmetry C1
Synonyms
  • (z)-6-[(2r,5r,8r,11r,12s)-2-isopropyl-5,12-dimethyl-3,6,9,13-tetraoxo-8-(phenylmethyl)-1,4,7,10-tetrazacyclotridec-11-yl]hex-4-enoic acid
  • (z)-6-[(2r,5r,8r,11r,12s)-5,12-dimethyl-3,6,9,13-tetraoxo-8-(phenylmethyl)-2-propan-2-yl-1,4,7,10-tetrazacyclotridec-11-yl]hex-4-enoic acid
  • (z)-6-[(2r,5r,8r,11r,12s)-8-(benzyl)-2-isopropyl-3,6,9,13-tetraketo-5,12-dimethyl-1,4,7,10-tetrazacyclotridec-11-yl]hex-4-enoic acid
InChIKey DMXROUYLQHFRCS-GIORXHJXSA-N
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