N-Acetyl-L-Alanyl-N-({(2S)-1-[(2S)-4-Chloro-3-Oxo-2-Butanyl]-2-Pyrrolidinyl}Carbonyl)-L-Alaninamide

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Properties Simple | Detailed

Formula C17H27ClN4O5
IUPAC Name (1s,2s)-n-[(2s)-2-[[(2s)-2-acetamidopropanoyl]amino]propanoyl]-1-[(1s)-3-chloro-1-methyl-2-oxo-propyl]pyrrolidine-2-carboxamide
Molecular Mass 402.873 g·mol−1
Heat of Formation -969.4 ± 16.7 kJ·mol−1
Dipole Moment 9.21 ± 1.08 D
Volume 485.82 Å 3
Surface Area 419.68 Å 2
HOMO Energy -9.31 ± 0.55 eV
LUMO Energy 0.33 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-n-[(2s)-2-[[(2s)-2-acetamido-1-oxopropyl]amino]-1-oxopropyl]-1-[(1s)-3-chloro-1-methyl-2-oxopropyl]-2-pyrrolidinecarboxamide
  • (2s)-n-[(2s)-2-[[(2s)-2-acetamidopropanoyl]amino]propanoyl]-1-[(1s)-3-chloro-1-methyl-2-oxo-propyl]pyrrolidine-2-carboxamide
  • (2s)-n-[(2s)-2-[[(2s)-2-acetamidopropanoyl]amino]propanoyl]-1-[(1s)-3-chloro-2-keto-1-methyl-propyl]pyrrolidine-2-carboxamide
  • (2s)-n-[(2s)-2-[[(2s)-2-acetamidopropanoyl]amino]propanoyl]-1-[(2s)-4-chloro-3-oxo-butan-2-yl]pyrrolidine-2-carboxamide
  • aapack
  • l-prolinamide, n-acetyl-l-alanyl-l-alanyl-n-(3-chloro-1-methyl-2-oxopropyl)-, (s)-
  • n-acetyl-ala-ala-pro-ala-chloromethyl ketone
  • n-acetylalanyl-alanyl-prolyl-alanine chloromethyl ketone
CAS Number(s)
  • 38104-40-4
  • 73777-48-7
InChIKey SHEWUCRQCFTSIN-ZPFDUUQYSA-N
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Elements H C N O Cl