O3-tert-butyl O4-methyl 2-[(1R)-1-azanyl-3-phenyl-propyl]-4,5-dihydro-1,3-oxazol-3-ium-3,4-dicarboxylate

Systemtic Name: O3-tert-butyl O4-methyl 2-[(1R)-1-azanyl-3-phenyl-propyl]-4,5-dihydro-1,3-oxazol-3-ium-3,4-dicarboxylate Openeye Name: O3-tert-butyl O4-methyl 2-[(1R)-1-amino-3-phenyl-propyl]-4,5-dihydrooxazol-3-ium-3,4-dicarboxylate CAS Name: 2-[(1R)-1-amino-3-phenylpropyl]-4,5-dihydrooxazol-3-ium-3,4-dicarboxylic acid O3-tert-butyl ester O4-methyl ester IUPAC Name: 3-O-tert-butyl 4-O-methyl 2-[(1R)-1-amino-3-phenylpropyl]-4,5-dihydro-1,3-oxazol-3-ium-3,4-dicarboxylate Traditional Name: 2-[(1R)-1-amino-3-phenyl-propyl]-2-oxazolin-3-ium-3,4-dicarboxylic acid O3-tert-butyl ester O4-methyl ester Formula: C19H27N2O5+ MolecularWeight: 363.42808

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)[N+]1=C(OCC1C(=O)OC)C(CCC2=CC=CC=C2)N

Isomeric SMILES

CC(C)(C)OC(=O)[N+]1=C(OCC1C(=O)OC)[C@@H](CCC2=CC=CC=C2)N

InChI

InChI=1S/C19H27N2O5/c1-19(2,3)26-18(23)21-15(17(22)24-4)12-25-16(21)14(20)11-10-13-8-6-5-7-9-13/h5-9,14-15H,10-12,20H2,1-4H3/q+1/t14-,15?/m1/s1