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

Systemtic Name: (2S)-2-[[2-oxidanidyl-6-oxidanyl-3-(2-phenoxyethanoyl)phenyl]methylazaniumyl]-3-phenyl-propanoate Openeye Name: (2S)-2-[[6-hydroxy-2-oxido-3-(2-phenoxyacetyl)phenyl]methylammonio]-3-phenyl-propanoate CAS Name: (2S)-2-[[6-hydroxy-2-oxido-3-(1-oxo-2-phenoxyethyl)phenyl]methylammonio]-3-phenylpropanoate IUPAC Name: (2S)-2-[[6-hydroxy-2-oxido-3-(2-phenoxyacetyl)phenyl]methylazaniumyl]-3-phenylpropanoate Traditional Name: (2S)-2-[[6-hydroxy-2-oxido-3-(2-phenoxyacetyl)benzyl]ammonio]-3-phenyl-propionate Formula: C24H22NO6- MolecularWeight: 420.43458

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(C(=O)[O-])[NH2+]CC2=C(C=CC(=C2[O-])C(=O)COC3=CC=CC=C3)O

Isomeric SMILES

C1=CC=C(C=C1)C[C@@H](C(=O)[O-])[NH2+]CC2=C(C=CC(=C2[O-])C(=O)COC3=CC=CC=C3)O

InChI

InChI=1S/C24H23NO6/c26-21-12-11-18(22(27)15-31-17-9-5-2-6-10-17)23(28)19(21)14-25-20(24(29)30)13-16-7-3-1-4-8-16/h1-12,20,25-26,28H,13-15H2,(H,29,30)/p-1/t20-/m0/s1