(2S)-3-[3,4-bis(oxidanyl)phenyl]-2-(pyridin-3-ylcarbonylamino)propanoate

Systemtic Name: (2S)-3-[3,4-bis(oxidanyl)phenyl]-2-(pyridin-3-ylcarbonylamino)propanoate Openeye Name: (2S)-3-(3,4-dihydroxyphenyl)-2-(pyridine-3-carbonylamino)propanoate CAS Name: (2S)-3-(3,4-dihydroxyphenyl)-2-[[oxo(3-pyridinyl)methyl]amino]propanoate IUPAC Name: (2S)-3-(3,4-dihydroxyphenyl)-2-(pyridine-3-carbonylamino)propanoate Traditional Name: (2S)-3-(3,4-dihydroxyphenyl)-2-nicotinamido-propionate Formula: C15H13N2O5- MolecularWeight: 301.27412

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CN=C1)C(=O)NC(CC2=CC(=C(C=C2)O)O)C(=O)[O-]

Isomeric SMILES

C1=CC(=CN=C1)C(=O)N[C@@H](CC2=CC(=C(C=C2)O)O)C(=O)[O-]

InChI

InChI=1S/C15H14N2O5/c18-12-4-3-9(7-13(12)19)6-11(15(21)22)17-14(20)10-2-1-5-16-8-10/h1-5,7-8,11,18-19H,6H2,(H,17,20)(H,21,22)/p-1/t11-/m0/s1