Danegaptide

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Properties Simple | Detailed

Formula C14H17N3O4
IUPAC Name (2s,4r)-1-(2-aminoacetyl)-4-benzamido-pyrrolidine-2-carboxylic acid
Molecular Mass 291.302 g·mol−1
Heat of Formation -613.6 ± 16.7 kJ·mol−1
Dipole Moment 3.81 ± 1.08 D
Volume 342.23 Å 3
Surface Area 313.07 Å 2
HOMO Energy -9.69 ± 0.55 eV
LUMO Energy -0.61 ± eV
Point Group Symmetry C1
Synonyms
  • (2s,4r)-1-(2-amino-1-oxoethyl)-4-[(oxo-phenylmethyl)amino]-2-pyrrolidinecarboxylic acid
  • (2s,4r)-1-(2-aminoacetyl)-4-(benzoylamino)pyrrolidine-2-carboxylic acid
  • (2s,4r)-1-(2-aminoethanoyl)-4-(phenylcarbonylamino)pyrrolidine-2-carboxylic acid
  • (2s,4r)-4-(benzoylamino)-1-glycyl-proline
InChIKey BIZKIHUJGMSVFD-MNOVXSKESA-N
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