N-[(3S,4S,7S,10Z)-7-Isobutyl-3-Isopropyl-5,8-Dioxo-2-Oxa-6,9-Diazabicyclo[10.2.2]Hexadeca-1(14),10,12,15-Tetraen-4-Yl]-N~2~,N~2~-Dimethyl-L-Alloisoleucinamide

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Properties Simple | Detailed

Formula C28H44N4O4
IUPAC Name (2s,3r)-2-(dimethylamino)-n-[(2z,6s,9s,10s)-6-isobutyl-10-isopropyl-5,8-dioxo-11-oxa-4,7-diazabicyclo[10.2.2]hexadeca-1(15),2,12(16),13-tetraen-9-yl]-3-methyl-pentanamide
Molecular Mass 500.673 g·mol−1
Heat of Formation -769.0 ± 16.7 kJ·mol−1
Dipole Moment 6.13 ± 1.08 D
Volume 660.4 Å 3
Surface Area 467.35 Å 2
HOMO Energy -8.98 ± 0.55 eV
LUMO Energy 0.04 ± eV
Point Group Symmetry C1
Synonyms
  • (2s,3r)-2-dimethylamino-3-methyl-n-[(3s,4s,7s,10z)-7-(2-methylpropyl)-5,8-dioxo-3-propan-2-yl-2-oxa-6,9-diazabicyclo[10.2.2]hexadeca-1(15),10,12(16),13-tetraen-4-yl]pentanamide
  • (2s,3r)-2-dimethylamino-n-[(3s,4s,7s,10z)-7-isobutyl-3-isopropyl-5,8-diketo-2-oxa-6,9-diazabicyclo[10.2.2]hexadeca-1(15),10,12(16),13-tetraen-4-yl]-3-methyl-valeramide
  • (2s,3r)-2-dimethylamino-n-[(3s,4s,7s,10z)-7-isobutyl-3-isopropyl-5,8-dioxo-2-oxa-6,9-diazabicyclo[10.2.2]hexadeca-1(15),10,12(16),13-tetraen-4-yl]-3-methyl-pentanamide
  • (2s,3r)-2-dimethylamino-n-[(3s,4s,7s,10z)-7-isobutyl-3-isopropyl-5,8-dioxo-2-oxa-6,9-diazabicyclo[10.2.2]hexadeca-1(15),10,12(16),13-tetraen-4-yl]-3-methylpentanamide
  • pentanamide, 2-(dimethylamino)-3-methyl-n-(3-(1-methylethyl)-7-(2-methylpropyl)-5,8-dioxo-2-oxa-6,9-diazabicyclo(10.2.2)hexadeca-10,12,14,15-tetraen-4-yl)-, (3r-(3r*,4s*(2s*,3s*),7s*))-
CAS Number(s)
  • 18658-41-8
InChIKey ULQXKOIGVXLOOC-VKKXVIDFSA-N
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