(2R)-3-acetamido-4-azaniumyl-2-[(phenylmethyl)-propyl-carbamoyl]-3,4-dihydro-2H-pyran-6-carboxylate

Systemtic Name: (2R)-3-acetamido-4-azaniumyl-2-[(phenylmethyl)-propyl-carbamoyl]-3,4-dihydro-2H-pyran-6-carboxylate Openeye Name: (2R)-3-acetamido-4-azaniumyl-2-[benzyl(propyl)carbamoyl]-3,4-dihydro-2H-pyran-6-carboxylate CAS Name: (2R)-3-acetamido-4-ammonio-2-[oxo-[(phenylmethyl)-propylamino]methyl]-3,4-dihydro-2H-pyran-6-carboxylate IUPAC Name: (2R)-3-acetamido-4-azaniumyl-2-[benzyl(propyl)carbamoyl]-3,4-dihydro-2H-pyran-6-carboxylate Traditional Name: (2R)-3-acetamido-4-ammonio-2-[benzyl(propyl)carbamoyl]-3,4-dihydro-2H-pyran-6-carboxylate Formula: C19H25N3O5 MolecularWeight: 375.4189

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(CC1=CC=CC=C1)C(=O)C2C(C(C=C(O2)C(=O)[O-])[NH3+])NC(=O)C

Isomeric SMILES

CCCN(CC1=CC=CC=C1)C(=O)[C@H]2C(C(C=C(O2)C(=O)[O-])[NH3+])NC(=O)C

InChI

InChI=1S/C19H25N3O5/c1-3-9-22(11-13-7-5-4-6-8-13)18(24)17-16(21-12(2)23)14(20)10-15(27-17)19(25)26/h4-8,10,14,16-17H,3,9,11,20H2,1-2H3,(H,21,23)(H,25,26)/t14?,16?,17-/m1/s1