(2S)-2-[(5-oxidanyl-4-oxidanylidene-pyran-2-yl)methoxycarbonylamino]-3-phenyl-propanoic acid

Systemtic Name: (2S)-2-[(5-oxidanyl-4-oxidanylidene-pyran-2-yl)methoxycarbonylamino]-3-phenyl-propanoic acid Openeye Name: (2S)-2-[(5-hydroxy-4-oxo-pyran-2-yl)methoxycarbonylamino]-3-phenyl-propanoic acid CAS Name: (2S)-2-[[(5-hydroxy-4-oxo-2-pyranyl)methoxy-oxomethyl]amino]-3-phenylpropanoic acid IUPAC Name: (2S)-2-[(5-hydroxy-4-oxopyran-2-yl)methoxycarbonylamino]-3-phenylpropanoic acid Traditional Name: (2S)-2-[(5-hydroxy-4-keto-pyran-2-yl)methoxycarbonylamino]-3-phenyl-propionic acid Formula: C16H15NO7 MolecularWeight: 333.2928

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(C(=O)O)NC(=O)OCC2=CC(=O)C(=CO2)O

Isomeric SMILES

C1=CC=C(C=C1)C[C@@H](C(=O)O)NC(=O)OCC2=CC(=O)C(=CO2)O

InChI

InChI=1S/C16H15NO7/c18-13-7-11(23-9-14(13)19)8-24-16(22)17-12(15(20)21)6-10-4-2-1-3-5-10/h1-5,7,9,12,19H,6,8H2,(H,17,22)(H,20,21)/t12-/m0/s1