(2R)-3-acetamido-4-azaniumyl-2-(diethylcarbamoyl)-3,4-dihydro-2H-pyran-6-carboxylate

Systemtic Name: (2R)-3-acetamido-4-azaniumyl-2-(diethylcarbamoyl)-3,4-dihydro-2H-pyran-6-carboxylate Openeye Name: (2R)-3-acetamido-4-azaniumyl-2-(diethylcarbamoyl)-3,4-dihydro-2H-pyran-6-carboxylate CAS Name: (2R)-3-acetamido-4-ammonio-2-[diethylamino(oxo)methyl]-3,4-dihydro-2H-pyran-6-carboxylate IUPAC Name: (2R)-3-acetamido-4-azaniumyl-2-(diethylcarbamoyl)-3,4-dihydro-2H-pyran-6-carboxylate Traditional Name: (2R)-3-acetamido-4-ammonio-2-(diethylcarbamoyl)-3,4-dihydro-2H-pyran-6-carboxylate Formula: C13H21N3O5 MolecularWeight: 299.32294

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)C1C(C(C=C(O1)C(=O)[O-])[NH3+])NC(=O)C

Isomeric SMILES

CCN(CC)C(=O)[C@H]1C(C(C=C(O1)C(=O)[O-])[NH3+])NC(=O)C

InChI

InChI=1S/C13H21N3O5/c1-4-16(5-2)12(18)11-10(15-7(3)17)8(14)6-9(21-11)13(19)20/h6,8,10-11H,4-5,14H2,1-3H3,(H,15,17)(H,19,20)/t8?,10?,11-/m1/s1