Nalpha-(2-Hydroxyethyl)-N-[(2R)-4-Methyl-2-({[(2-Methyl-2-Propanyl)Oxy]Carbonyl}Amino)Pentanoyl]-L-Phenylalaninamide

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Formula C22H35N3O5
IUPAC Name tert-butyl n-[(1r)-1-[[(2s)-2-(2-hydroxyethylamino)-3-phenyl-propanoyl]carbamoyl]-3-methyl-butyl]carbamate
Molecular Mass 421.530 g·mol−1
Heat of Formation -994.4 ± 16.7 kJ·mol−1
Dipole Moment 4.83 ± 1.08 D
Volume 553.35 Å 3
Surface Area 448.32 Å 2
HOMO Energy -9.27 ± 0.55 eV
LUMO Energy -0.17 ± eV
Point Group Symmetry C1
Synonyms
  • n-[(1r)-1-[[(2s)-2-(2-hydroxyethylamino)-3-phenyl-propanoyl]carbamoyl]-3-methyl-butyl]carbamic acid tert-butyl ester
  • n-tert-butyloxycarbonyl-d-leucyl-l-phenylalanine-ethanolamide
  • t-boc-d-leu-l-phe-ea
  • tert-butyl n-[(1r)-1-[[(2s)-2-(2-hydroxyethylamino)-3-phenyl-propanoyl]carbamoyl]-3-methyl-butyl]carbamate
  • tert-butyl n-[(2r)-1-[[(2s)-2-(2-hydroxyethylamino)-3-phenylpropanoyl]amino]-4-methyl-1-oxopentan-2-yl]carbamate
CAS Number(s)
  • 86810-21-1
InChIKey CDDPEKNCOJECSY-ZWKOTPCHSA-N
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