N-[(1S)-4-Anilino-1-Carboxy-4-Oxobutyl]-L-Alanyl-L-Proline

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Properties Simple | Detailed

Formula C19H25N3O6
IUPAC Name (2s)-1-[(2s)-2-[[(1s)-4-anilino-1-carboxy-4-oxo-butyl]amino]propanoyl]pyrrolidine-2-carboxylic acid
Molecular Mass 391.418 g·mol−1
Heat of Formation -1105.1 ± 16.7 kJ·mol−1
Dipole Moment 4.49 ± 1.08 D
Volume 465.98 Å 3
Surface Area 355.47 Å 2
HOMO Energy -8.83 ± 0.55 eV
LUMO Energy 0.08 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-1-[(2s)-2-[[(1s)-1-carboxy-4-keto-4-(phenylamino)butyl]amino]propanoyl]proline
  • (2s)-1-[(2s)-2-[[(1s)-1-carboxy-4-oxo-4-(phenylamino)butyl]amino]-1-oxopropyl]-2-pyrrolidinecarboxylic acid
  • (2s)-1-[(2s)-2-[[(1s)-1-carboxy-4-oxo-4-(phenylamino)butyl]amino]propanoyl]pyrrolidine-2-carboxylic acid
  • (2s)-1-[(2s)-2-[[(2s)-1-hydroxy-1,5-dioxo-5-(phenylamino)pentan-2-yl]amino]propanoyl]pyrrolidine-2-carboxylic acid
  • l-proline, 1-(n-(1-carboxy-4-oxo-4-(phenylamino)butyl)-l-alanyl)-, (s)-
  • n-(1-carboxy-3-carboxanilidopropyl)alanylproline
  • rac x 65
  • rac-x-65
CAS Number(s)
  • 110351-42-3
InChIKey WURJETPEVFGNGA-QEJZJMRPSA-N
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