(2R,3R,4S)-3-Acetamido-4-Amino-2-[(2-Phenylethyl)(Propyl)Carbamoyl]-3,4-Dihydro-2H-Pyran-6-Carboxylic Acid

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Formula C20H27N3O5
IUPAC Name (2r,3r,4s)-3-acetamido-4-amino-2-[2-phenylethyl(propyl)carbamoyl]-3,4-dihydro-2h-pyran-6-carboxylic acid
Molecular Mass 389.445 g·mol−1
Heat of Formation -795.1 ± 16.7 kJ·mol−1
Dipole Moment 8.37 ± 1.08 D
Volume 481.35 Å 3
Surface Area 407.5 Å 2
HOMO Energy -9.37 ± 0.55 eV
LUMO Energy 2.53 ± eV
Point Group Symmetry C1
Synonyms
  • (4s,5r,6r)-5-acetamido-4-amino-6-(2-phenylethyl-propyl-carbamoyl)-5,6-dihydro-4h-pyran-2-carboxylic acid
  • (4s,5r,6r)-5-acetamido-4-amino-6-(2-phenylethyl-propylcarbamoyl)-5,6-dihydro-4h-pyran-2-carboxylic acid
  • (4s,5r,6r)-5-acetamido-4-amino-6-[oxo-(2-phenylethyl-propylamino)methyl]-5,6-dihydro-4h-pyran-2-carboxylic acid
  • (4s,5r,6r)-5-acetylamino-4-amino-6-(phenethyl-propyl-carbamoyl)-5,6-dihydro-4h-pyran-2-carboxylic acid
  • 5-acetylamino-4-amino-6-(phenethyl-propyl-carbamoyl)-5,6-dihydro-4h-pyran-2-carboxylic acid
  • carboxamide deriv. 4p
InChIKey ZNRGSYNQOLEMKF-CGTJXYLNSA-N
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