(2R)-1-Cyano-2-Butanyl {(1S)-1-[3-({[3-Methoxy-4-(1,3-Oxazol-5-Yl)Phenyl]Carbamoyl}Amino)Phenyl]Ethyl}Carbamate

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Properties Simple | Detailed

Formula C25H27N5O5
IUPAC Name [(1r)-1-(cyanomethyl)propyl] n-[(1s)-1-[3-[(3-methoxy-4-oxazol-5-yl-phenyl)carbamoylamino]phenyl]ethyl]carbamate
Molecular Mass 477.512 g·mol−1
Heat of Formation -479.1 ± 16.7 kJ·mol−1
Dipole Moment 8.28 ± 1.08 D
Volume 566.76 Å 3
Surface Area 507.89 Å 2
HOMO Energy -8.80 ± 0.55 eV
LUMO Energy -0.77 ± eV
Point Group Symmetry C1
Synonyms
  • [(1r)-1-(cyanomethyl)propyl] n-[(1s)-1-[3-[(3-methoxy-4-oxazol-5-yl-phenyl)carbamoylamino]phenyl]ethyl]carbamate
  • [(2r)-1-cyanobutan-2-yl] n-[(1s)-1-[3-[[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]carbamoylamino]phenyl]ethyl]carbamate
  • n-[(1s)-1-[3-[(3-methoxy-4-oxazol-5-yl-phenyl)carbamoylamino]phenyl]ethyl]carbamic acid [(1r)-1-(cyanomethyl)propyl] ester
  • n-[(1s)-1-[3-[[[[3-methoxy-4-(5-oxazolyl)phenyl]amino]-oxomethyl]amino]phenyl]ethyl]carbamic acid [(1r)-1-(cyanomethyl)propyl] ester
InChIKey GYCPCOJTCINIFZ-OXJNMPFZSA-N
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