(2S)-2-[[2-oxidanidyl-6-oxidanyl-3-(2-phenoxyethanoyl)phenyl]methylazaniumyl]propanoate

Systemtic Name: (2S)-2-[[2-oxidanidyl-6-oxidanyl-3-(2-phenoxyethanoyl)phenyl]methylazaniumyl]propanoate Openeye Name: (2S)-2-[[6-hydroxy-2-oxido-3-(2-phenoxyacetyl)phenyl]methylammonio]propanoate CAS Name: (2S)-2-[[6-hydroxy-2-oxido-3-(1-oxo-2-phenoxyethyl)phenyl]methylammonio]propanoate IUPAC Name: (2S)-2-[[6-hydroxy-2-oxido-3-(2-phenoxyacetyl)phenyl]methylazaniumyl]propanoate Traditional Name: (2S)-2-[[6-hydroxy-2-oxido-3-(2-phenoxyacetyl)benzyl]ammonio]propionate Formula: C18H18NO6- MolecularWeight: 344.33862

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)[O-])[NH2+]CC1=C(C=CC(=C1[O-])C(=O)COC2=CC=CC=C2)O

Isomeric SMILES

C[C@@H](C(=O)[O-])[NH2+]CC1=C(C=CC(=C1[O-])C(=O)COC2=CC=CC=C2)O

InChI

InChI=1S/C18H19NO6/c1-11(18(23)24)19-9-14-15(20)8-7-13(17(14)22)16(21)10-25-12-5-3-2-4-6-12/h2-8,11,19-20,22H,9-10H2,1H3,(H,23,24)/p-1/t11-/m0/s1