N-[(3R,4S,7S,10Z)-7-[(2R)-2-Butanyl]-5,8-Dioxo-3-Phenyl-2-Oxa-6,9-Diazabicyclo[10.2.2]Hexadeca-1(14),10,12,15-Tetraen-4-Yl]-Nalpha-Methyl-L-Phenylalaninamide

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Properties Simple | Detailed

Formula C33H38N4O4
IUPAC Name (2s)-2-(methylamino)-n-[(3r,4s,7s,10z)-7-[(1r)-1-methylpropyl]-5,8-dioxo-3-phenyl-2-oxa-6,9-diazabicyclo[10.2.2]hexadeca-1(15),10,12(16),13-tetraen-4-yl]-3-phenyl-propanamide
Molecular Mass 554.679 g·mol−1
Heat of Formation -399.0 ± 16.7 kJ·mol−1
Dipole Moment 4.54 ± 1.08 D
Volume 692.15 Å 3
Surface Area 493.87 Å 2
HOMO Energy -9.07 ± 0.55 eV
LUMO Energy -0.27 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-n-[(3r,4s,7s,10z)-7-[(2r)-butan-2-yl]-5,8-dioxo-3-phenyl-2-oxa-6,9-diazabicyclo[10.2.2]hexadeca-1(15),10,12(16),13-tetraen-4-yl]-2-methylamino-3-phenyl-propanamide
  • (2s)-n-[(3r,4s,7s,10z)-7-[(2r)-butan-2-yl]-5,8-dioxo-3-phenyl-2-oxa-6,9-diazabicyclo[10.2.2]hexadeca-1(15),10,12(16),13-tetraen-4-yl]-2-methylamino-3-phenylpropanamide
  • benzenepropanamide, alpha-(methylamino)-n-[(3r,4s,7s,10z)-7-[(1s)-1-methylpropyl]-5,8-dioxo-3-phenyl-2-oxa-6,9-diazabicyclo[10.2.2]hexadeca-10,12,14,15-tetraen-4-yl]-, (alphas)-
  • condaline-a
  • n-(7-sec-butyl-5,8-dioxo-3-phenyl-2-oxa-6,9-diaza-bicyclo[10.2.2]hexadeca-1(15),10,12(16),13-tetraen-4-yl)-2-methylamino-3-phenyl-propionamide
  • rel-(2r)-2-(methylamino)-n-[(3s,4r,7r,10z)-7-[(1r)-1-methylpropyl]-5,8-dioxo-3-phenyl-2-oxa-6,9-diazabicyclo[10.2.2]hexadeca-1(14),10,12,15-tetraen-4-yl]-3-phenylpropanamide
InChIKey JDFUVCMEHULMNF-BNTDKXKRSA-N
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