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

Systemtic Name: (2S)-2-azanyl-3-phenyl-propanoic acid; 2-oxidanyl-2-phenyl-ethanoic acid Openeye Name: (2S)-2-amino-3-phenyl-propanoic acid; 2-hydroxy-2-phenyl-acetic acid CAS Name: (2S)-2-amino-3-phenylpropanoic acid; 2-hydroxy-2-phenylacetic acid IUPAC Name: (2S)-2-amino-3-phenylpropanoic acid; 2-hydroxy-2-phenylacetic acid Traditional Name: (2S)-2-amino-3-phenyl-propionic acid; madelic acid Formula: C17H19NO5 MolecularWeight: 317.33646

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H11NO2.C8H8O3/c10-8(9(11)12)6-7-4-2-1-3-5-7;9-7(8(10)11)6-4-2-1-3-5-6/h1-5,8H,6,10H2,(H,11,12);1-5,7,9H,(H,10,11)/t8-;/m0./s1