(2S)-2-[(6-oxidanylidenepyran-3-yl)carbonylamino]-3-phenyl-propanoic acid

Systemtic Name: (2S)-2-[(6-oxidanylidenepyran-3-yl)carbonylamino]-3-phenyl-propanoic acid Openeye Name: (2S)-2-[(6-oxopyran-3-carbonyl)amino]-3-phenyl-propanoic acid CAS Name: (2S)-2-[[oxo-(6-oxo-3-pyranyl)methyl]amino]-3-phenylpropanoic acid IUPAC Name: (2S)-2-[(6-oxopyran-3-carbonyl)amino]-3-phenylpropanoic acid Traditional Name: (2S)-2-[(6-ketopyran-3-carbonyl)amino]-3-phenyl-propionic acid Formula: C15H13NO5 MolecularWeight: 287.26742

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(C(=O)O)NC(=O)C2=COC(=O)C=C2

Isomeric SMILES

C1=CC=C(C=C1)C[C@@H](C(=O)O)NC(=O)C2=COC(=O)C=C2

InChI

InChI=1S/C15H13NO5/c17-13-7-6-11(9-21-13)14(18)16-12(15(19)20)8-10-4-2-1-3-5-10/h1-7,9,12H,8H2,(H,16,18)(H,19,20)/t12-/m0/s1