(2S)-2-[(2-oxidanyl-4-oxidanylidene-7-phenylmethoxy-chromen-3-yl)carbonylamino]propanoic acid

Systemtic Name: (2S)-2-[(2-oxidanyl-4-oxidanylidene-7-phenylmethoxy-chromen-3-yl)carbonylamino]propanoic acid Openeye Name: (2S)-2-[(7-benzyloxy-2-hydroxy-4-oxo-chromene-3-carbonyl)amino]propanoic acid CAS Name: (2S)-2-[[(2-hydroxy-4-oxo-7-phenylmethoxy-1-benzopyran-3-yl)-oxomethyl]amino]propanoic acid IUPAC Name: (2S)-2-[(2-hydroxy-4-oxo-7-phenylmethoxychromene-3-carbonyl)amino]propanoic acid Traditional Name: (2S)-2-[(7-benzoxy-2-hydroxy-4-keto-chromene-3-carbonyl)amino]propionic acid Formula: C20H17NO7 MolecularWeight: 383.35148

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)NC(=O)C1=C(OC2=C(C1=O)C=CC(=C2)OCC3=CC=CC=C3)O

Isomeric SMILES

C[C@@H](C(=O)O)NC(=O)C1=C(OC2=C(C1=O)C=CC(=C2)OCC3=CC=CC=C3)O

InChI

InChI=1S/C20H17NO7/c1-11(19(24)25)21-18(23)16-17(22)14-8-7-13(9-15(14)28-20(16)26)27-10-12-5-3-2-4-6-12/h2-9,11,26H,10H2,1H3,(H,21,23)(H,24,25)/t11-/m0/s1