(3S)-3-azaniumyl-3-[4-(2-azanyl-2-oxidanylidene-ethoxy)-3-methoxy-phenyl]propanoate

Systemtic Name: (3S)-3-azaniumyl-3-[4-(2-azanyl-2-oxidanylidene-ethoxy)-3-methoxy-phenyl]propanoate Openeye Name: (3S)-3-[4-(2-amino-2-oxo-ethoxy)-3-methoxy-phenyl]-3-azaniumyl-propanoate CAS Name: (3S)-3-[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]-3-ammoniopropanoate IUPAC Name: (3S)-3-[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]-3-azaniumylpropanoate Traditional Name: (3S)-3-[4-(2-amino-2-keto-ethoxy)-3-methoxy-phenyl]-3-ammonio-propionate Formula: C12H16N2O5 MolecularWeight: 268.26584

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C(CC(=O)[O-])[NH3+])OCC(=O)N

Isomeric SMILES

COC1=C(C=CC(=C1)[C@H](CC(=O)[O-])[NH3+])OCC(=O)N

InChI

InChI=1S/C12H16N2O5/c1-18-10-4-7(8(13)5-12(16)17)2-3-9(10)19-6-11(14)15/h2-4,8H,5-6,13H2,1H3,(H2,14,15)(H,16,17)/t8-/m0/s1