N-[(Benzyloxy)Carbonyl]-L-Alanyl-N-[(2S,3R)-3-Hydroxy-1-Phenyl-2-Butanyl]-L-Prolinamide

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Properties Simple | Detailed

Formula C26H33N3O5
IUPAC Name benzyl n-[(1s)-2-[(2s)-2-[[(1s,2r)-1-benzyl-2-hydroxy-propyl]carbamoyl]pyrrolidin-1-yl]-1-methyl-2-oxo-ethyl]carbamate
Molecular Mass 467.557 g·mol−1
Heat of Formation -839.3 ± 16.7 kJ·mol−1
Dipole Moment 1.47 ± 1.08 D
Volume 579.96 Å 3
Surface Area 452.69 Å 2
HOMO Energy -9.32 ± 0.55 eV
LUMO Energy 0.10 ± eV
Point Group Symmetry C1
Synonyms
  • 1bh
  • n-[(1s)-2-[(2s)-2-[[(1s,2r)-1-(benzyl)-2-hydroxy-propyl]carbamoyl]pyrrolidin-1-yl]-2-keto-1-methyl-ethyl]carbamic acid benzyl ester
  • n-[(1s)-2-[(2s)-2-[[[(1s,2r)-2-hydroxy-1-(phenylmethyl)propyl]amino]-oxomethyl]-1-pyrrolidinyl]-1-methyl-2-oxoethyl]carbamic acid phenylmethyl ester
  • n-benzyloxycarbonyl-ala-pro-3-amino-4-phenyl-butan-2-ol
  • phenylmethyl n-[(1s)-2-[(2s)-2-[[(1s,2r)-2-hydroxy-1-(phenylmethyl)propyl]carbamoyl]pyrrolidin-1-yl]-1-methyl-2-oxo-ethyl]carbamate
  • phenylmethyl n-[(2s)-1-[(2s)-2-[[(2s,3r)-3-hydroxy-1-phenyl-butan-2-yl]carbamoyl]pyrrolidin-1-yl]-1-oxo-propan-2-yl]carbamate
  • phenylmethyl n-[(2s)-1-[(2s)-2-[[(2s,3r)-3-hydroxy-1-phenylbutan-2-yl]carbamoyl]pyrrolidin-1-yl]-1-oxopropan-2-yl]carbamate
InChIKey MACLRJNEKXUAJK-YDLSIGKMSA-N
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