(2S)-2-azanyl-3-pyridin-2-yl-propanoic acid; 2-oxidanyl-2-phenyl-ethanoic acid

Systemtic Name: (2S)-2-azanyl-3-pyridin-2-yl-propanoic acid; 2-oxidanyl-2-phenyl-ethanoic acid Openeye Name: (2S)-2-amino-3-(2-pyridyl)propanoic acid; 2-hydroxy-2-phenyl-acetic acid CAS Name: (2S)-2-amino-3-(2-pyridinyl)propanoic acid; 2-hydroxy-2-phenylacetic acid IUPAC Name: (2S)-2-amino-3-pyridin-2-ylpropanoic acid; 2-hydroxy-2-phenylacetic acid Traditional Name: (2S)-2-amino-3-(2-pyridyl)propionic acid; madelic acid Formula: C16H18N2O5 MolecularWeight: 318.32452

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(C(=O)O)O.C1=CC=NC(=C1)CC(C(=O)O)N

Isomeric SMILES

C1=CC=C(C=C1)C(C(=O)O)O.C1=CC=NC(=C1)C[C@@H](C(=O)O)N

InChI

InChI=1S/C8H10N2O2.C8H8O3/c9-7(8(11)12)5-6-3-1-2-4-10-6;9-7(8(10)11)6-4-2-1-3-5-6/h1-4,7H,5,9H2,(H,11,12);1-5,7,9H,(H,10,11)/t7-;/m0./s1