2-Methyl-2-Propanyl [(2S,3S,5R)-5-Benzyl-3-Hydroxy-6-{[(1S)-1-(1H-Imidazol-2-Yl)-2-Methylpropyl]Amino}-6-Oxo-1-Phenyl-2-Hexanyl]Carbamate

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Properties Simple | Detailed

Formula C31H42N4O4
IUPAC Name tert-butyl n-[(1s,2s,4r)-1,4-dibenzyl-2-hydroxy-5-[[(1s)-1-imidazol-2-yl-2-methyl-propyl]amino]-5-oxo-pentyl]carbamate
Molecular Mass 534.690 g·mol−1
Heat of Formation -693.1 ± 16.7 kJ·mol−1
Dipole Moment 5.84 ± 1.08 D
Volume 695.35 Å 3
Surface Area 534.33 Å 2
HOMO Energy -9.06 ± 0.55 eV
LUMO Energy 0.04 ± eV
Point Group Symmetry C1
Synonyms
  • (2r,4s,5s,1's)-2-phenylmethyl-4-hydroxy-5-(tert-butoxycarbonyl)amino-6-phenyl hexanoyl-n-(1'-imidazo-2-yl)-2'-methylpropanamide
  • im1
  • n-[(1s,2s,4r)-1,4-bis(benzyl)-2-hydroxy-5-[[(1s)-1-(1h-imidazol-2-yl)-2-methyl-propyl]amino]-5-keto-pentyl]carbamic acid tert-butyl ester
  • n-[(1s,2s,4r)-2-hydroxy-5-[[(1s)-1-(1h-imidazol-2-yl)-2-methylpropyl]amino]-5-oxo-1,4-bis(phenylmethyl)pentyl]carbamic acid tert-butyl ester
  • tert-butyl n-[(1s,2s,4r)-2-hydroxy-5-[[(1s)-1-(1h-imidazol-2-yl)-2-methyl-propyl]amino]-5-oxo-1,4-bis(phenylmethyl)pentyl]carbamate
  • tert-butyl n-[(2s,3s,5r)-3-hydroxy-6-[[(1s)-1-(1h-imidazol-2-yl)-2-methyl-propyl]amino]-6-oxo-1-phenyl-5-(phenylmethyl)hexan-2-yl]carbamate
  • tert-butyl n-[(2s,3s,5r)-3-hydroxy-6-[[(1s)-1-(1h-imidazol-2-yl)-2-methylpropyl]amino]-6-oxo-1-phenyl-5-(phenylmethyl)hexan-2-yl]carbamate
InChIKey QAHXABIFJPGWDD-WKAQUBQDSA-N
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