Ethyl [(2S)-6-Amino-1-{5-[4-(2,3-Dihydro-1H-Inden-2-Ylcarbamoyl)Benzyl]-1,2,4-Oxadiazol-3-Yl}-1-Oxo-2-Hexanyl]Carbamate

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Formula C28H33N5O5
IUPAC Name ethyl n-[(1s)-5-amino-1-[5-[[4-(indan-2-ylcarbamoyl)phenyl]methyl]-1,2,4-oxadiazole-3-carbonyl]pentyl]carbamate
Molecular Mass 519.592 g·mol−1
Heat of Formation -468.4 ± 16.7 kJ·mol−1
Dipole Moment 0.49 ± 1.08 D
Volume 627.59 Å 3
Surface Area 566.84 Å 2
HOMO Energy -9.41 ± 0.55 eV
LUMO Energy -0.94 ± eV
Point Group Symmetry C1
Synonyms
  • ethyl n-[(1s)-5-amino-1-[5-[[4-(indan-2-ylcarbamoyl)phenyl]methyl]1,2,4-oxadiazole-3-carbonyl]pentyl]carbamate
  • ethyl n-[(2s)-6-amino-1-[5-[[4-(2,3-dihydro-1h-inden-2-ylcarbamoyl)phenyl]methyl]-1,2,4-oxadiazol-3-yl]-1-oxo-hexan-2-yl]carbamate
  • ethyl {(1s)-5-amino-1-[(5-{4-[(2,3-dihydro-1h-inden-2-ylamino)carbonyl]benzyl}-1,2,4-oxadiazol-3-yl)carbonyl]pentyl}carbamate
  • n-[(1s)-5-amino-1-[5-[4-(indan-2-ylcarbamoyl)benzyl]1,2,4-oxadiazole-3-carbonyl]pentyl]carbamic acid ethyl ester
  • n-[(1s)-5-amino-1-[[5-[[4-[(2-indanylamino)-oxomethyl]phenyl]methyl]-1,2,4-oxadiazol-3-yl]-oxomethyl]pentyl]carbamic acid ethyl ester
InChIKey PWHBUXLKTXHYAP-QHCPKHFHSA-N
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