(2R)-2-[[3-(4-methoxyphenyl)-3-oxidanylidene-propyl]azaniumyl]-3-oxidanyl-propanoate

Systemtic Name: (2R)-2-[[3-(4-methoxyphenyl)-3-oxidanylidene-propyl]azaniumyl]-3-oxidanyl-propanoate Openeye Name: (2R)-3-hydroxy-2-[[3-(4-methoxyphenyl)-3-oxo-propyl]ammonio]propanoate CAS Name: (2R)-3-hydroxy-2-[[3-(4-methoxyphenyl)-3-oxopropyl]ammonio]propanoate IUPAC Name: (2R)-3-hydroxy-2-[[3-(4-methoxyphenyl)-3-oxopropyl]azaniumyl]propanoate Traditional Name: (2R)-3-hydroxy-2-[[3-keto-3-(4-methoxyphenyl)propyl]ammonio]propionate Formula: C13H17NO5 MolecularWeight: 267.27778

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=O)CC[NH2+]C(CO)C(=O)[O-]

Isomeric SMILES

COC1=CC=C(C=C1)C(=O)CC[NH2+][C@H](CO)C(=O)[O-]

InChI

InChI=1S/C13H17NO5/c1-19-10-4-2-9(3-5-10)12(16)6-7-14-11(8-15)13(17)18/h2-5,11,14-15H,6-8H2,1H3,(H,17,18)/t11-/m1/s1