Benzyl [(2S)-1-{[(2S)-2-{[(2S)-4-Chloro-3-Oxo-1-Phenyl-2-Butanyl]Amino}Propanoyl]Amino}-1-Oxo-2-Propanyl]Carbamate

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Properties Simple | Detailed

Formula C24H28ClN3O5
IUPAC Name benzyl n-[(1s)-2-[[(2s)-2-[[(1s)-1-benzyl-3-chloro-2-oxo-propyl]amino]propanoyl]amino]-1-methyl-2-oxo-ethyl]carbamate
Molecular Mass 473.949 g·mol−1
Heat of Formation -744.0 ± 16.7 kJ·mol−1
Dipole Moment 4.96 ± 1.08 D
Volume 574.34 Å 3
Surface Area 487.48 Å 2
HOMO Energy -9.44 ± 0.55 eV
LUMO Energy -0.27 ± eV
Point Group Symmetry C1
Synonyms
  • (s)-n-((phenylmethoxy)carbonyl)-l-alanyl-n-(3-chloro-2-oxo-1-(phenylmethyl)propyl)-l-alaninamide
  • benzyloxycarbonyl-ala-ala-phe-chloromethyl ketone
  • benzyloxycarbonylalanyl-alanyl phenylalanine chloromethyl ketone
  • l-alaninamide, n-((phenylmethoxy)carbonyl)-l-alanyl-n-(3-chloro-2-oxo-1-(phenylmethyl)propyl)-, (s)-
  • n-[(1s)-2-[[(2s)-2-[[(1s)-1-(benzyl)-3-chloro-2-keto-propyl]amino]propanoyl]amino]-2-keto-1-methyl-ethyl]carbamic acid benzyl ester
  • n-[(1s)-2-[[(2s)-2-[[(1s)-3-chloro-2-oxo-1-(phenylmethyl)propyl]amino]-1-oxopropyl]amino]-1-methyl-2-oxoethyl]carbamic acid phenylmethyl ester
  • phenylmethyl n-[(1s)-2-[[(2s)-2-[[(1s)-3-chloro-2-oxo-1-(phenylmethyl)propyl]amino]propanoyl]amino]-1-methyl-2-oxo-ethyl]carbamate
  • phenylmethyl n-[(2s)-1-[[(2s)-2-[[(2s)-4-chloro-3-oxo-1-phenyl-butan-2-yl]amino]propanoyl]amino]-1-oxo-propan-2-yl]carbamate
  • z-ala-ala-phe-ch2cl
CAS Number(s)
  • 86832-16-8
InChIKey GVXFHFRNYPQKLM-ZWOKBUDYSA-N
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