N-[(3S,4S,7S,10Z)-7-[(2S)-2-Butanyl]-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-Leucinamide

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Properties Simple | Detailed

Formula C28H44N4O4
IUPAC Name (2s)-2-(dimethylamino)-n-[(2z,6s,9s,10s)-10-isopropyl-6-[(1s)-1-methylpropyl]-5,8-dioxo-11-oxa-4,7-diazabicyclo[10.2.2]hexadeca-1(15),2,12(16),13-tetraen-9-yl]-4-methyl-pentanamide
Molecular Mass 500.673 g·mol−1
Heat of Formation -792.9 ± 16.7 kJ·mol−1
Dipole Moment 6.41 ± 1.08 D
Volume 658.22 Å 3
Surface Area 464.91 Å 2
HOMO Energy -8.94 ± 0.55 eV
LUMO Energy 0.10 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-2-dimethylamino-n-[(3s,4s,7s,10z)-3-isopropyl-5,8-diketo-7-sec-butyl-2-oxa-6,9-diazabicyclo[10.2.2]hexadeca-1(15),10,12(16),13-tetraen-4-yl]-4-methyl-valeramide
  • (2s)-2-dimethylamino-n-[(3s,4s,7s,10z)-3-isopropyl-5,8-dioxo-7-sec-butyl-2-oxa-6,9-diazabicyclo[10.2.2]hexadeca-1(15),10,12(16),13-tetraen-4-yl]-4-methyl-pentanamide
  • (2s)-2-dimethylamino-n-[(3s,4s,7s,10z)-3-isopropyl-5,8-dioxo-7-sec-butyl-2-oxa-6,9-diazabicyclo[10.2.2]hexadeca-1(15),10,12(16),13-tetraen-4-yl]-4-methylpentanamide
  • (2s)-n-[(3s,4s,7s,10z)-7-[(2s)-butan-2-yl]-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]-2-dimethylamino-4-methyl-pentanamide
  • (2s)-n-[(3s,4s,7s,10z)-7-[(2s)-butan-2-yl]-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]-2-dimethylamino-4-methylpentanamide
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CAS Number(s)
  • 19542-37-1
InChIKey OMVRKRVDDRUXPW-RJJCKBEYSA-N
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