(2S)-N-[(2S)-1-[(2S)-2-(Chloroacetyl)-1-Pyrrolidinyl]-3-(1H-Imidazol-5-Yl)-1-Oxo-2-Propanyl]-5-Oxo-2-Pyrrolidinecarboxamide

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Properties Simple | Detailed

Formula C17H22ClN5O4
IUPAC Name (2s)-n-[(1s)-2-[(2s)-2-(2-chloroacetyl)pyrrolidin-1-yl]-1-(1h-imidazol-5-ylmethyl)-2-oxo-ethyl]-5-oxo-pyrrolidine-2-carboxamide
Molecular Mass 395.841 g·mol−1
Heat of Formation -611.1 ± 16.7 kJ·mol−1
Dipole Moment 6.09 ± 1.08 D
Volume 460.11 Å 3
Surface Area 389.35 Å 2
HOMO Energy -9.53 ± 0.55 eV
LUMO Energy 0.17 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-n-[(1s)-2-[(2s)-2-(2-chloro-1-oxoethyl)-1-pyrrolidinyl]-1-(3h-imidazol-4-ylmethyl)-2-oxoethyl]-5-oxo-2-pyrrolidinecarboxamide
  • (2s)-n-[(1s)-2-[(2s)-2-(2-chloroacetyl)pyrrolidin-1-yl]-1-(3h-imidazol-4-ylmethyl)-2-keto-ethyl]-5-keto-pyrrolidine-2-carboxamide
  • (2s)-n-[(1s)-2-[(2s)-2-(2-chloroacetyl)pyrrolidin-1-yl]-1-(3h-imidazol-4-ylmethyl)-2-oxo-ethyl]-5-oxo-pyrrolidine-2-carboxamide
  • (2s)-n-[(2s)-1-[(2s)-2-(2-chloroethanoyl)pyrrolidin-1-yl]-3-(3h-imidazol-4-yl)-1-oxo-propan-2-yl]-5-oxo-pyrrolidine-2-carboxamide
  • 2-pyrrolidinecarboxamide, n-(2-(2-(chloroacetyl)-1-pyrrolidinyl)-1-(1h-imidazol-4-ylmethyl)-2-oxoethyl)-5-oxo-, (2s-(2r*(r*(r*))))-
  • thyrotropin releasing hormone chloromethyl ketone
  • trh-cmk
CAS Number(s)
  • 76819-95-9
InChIKey IUYWTEQKCXPSLN-AVGNSLFASA-N
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Elements H C N O Cl