L-Alanyl-N-[(2S)-4-Chloro-3-Oxo-1-Phenyl-2-Butanyl]-L-Alaninamide

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Properties Simple | Detailed

Formula C16H22ClN3O3
IUPAC Name (2s)-2-amino-n-[(1s)-2-[[(1s)-1-benzyl-3-chloro-2-oxo-propyl]amino]-1-methyl-2-oxo-ethyl]propanamide
Molecular Mass 339.817 g·mol−1
Heat of Formation -543.0 ± 16.7 kJ·mol−1
Dipole Moment 1.27 ± 1.08 D
Volume 428.29 Å 3
Surface Area 349.79 Å 2
HOMO Energy -9.61 ± 0.55 eV
LUMO Energy -0.02 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-2-(alanylamino)-n-[(1s)-1-(benzyl)-3-chloro-2-keto-propyl]propionamide
  • (2s)-2-[[(2s)-2-amino-1-oxopropyl]amino]-n-[(1s)-3-chloro-2-oxo-1-(phenylmethyl)propyl]propanamide
  • (2s)-2-[[(2s)-2-aminopropanoyl]amino]-n-[(1s)-3-chloro-2-oxo-1-(phenylmethyl)propyl]propanamide
  • (2s)-2-[[(2s)-2-aminopropanoyl]amino]-n-[(2s)-4-chloro-3-oxo-1-phenyl-butan-2-yl]propanamide
  • bio2_000275
  • bio2_000755
InChIKey ONICONPPGVXITG-GVXVVHGQSA-N
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Elements H C N O Cl