3-(4-oxidanyl-3-propanoyl-phenyl)-2-(phenylmethoxycarbonylamino)propanoic acid

Systemtic Name: 3-(4-oxidanyl-3-propanoyl-phenyl)-2-(phenylmethoxycarbonylamino)propanoic acid Openeye Name: 2-(benzyloxycarbonylamino)-3-(4-hydroxy-3-propanoyl-phenyl)propanoic acid CAS Name: 3-[4-hydroxy-3-(1-oxopropyl)phenyl]-2-(phenylmethoxycarbonylamino)propanoic acid IUPAC Name: 3-(4-hydroxy-3-propanoylphenyl)-2-(phenylmethoxycarbonylamino)propanoic acid Traditional Name: 2-(benzyloxycarbonylamino)-3-(4-hydroxy-3-propionyl-phenyl)propionic acid Formula: C20H21NO6 MolecularWeight: 371.38384

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)C1=C(C=CC(=C1)CC(C(=O)O)NC(=O)OCC2=CC=CC=C2)O

Isomeric SMILES

CCC(=O)C1=C(C=CC(=C1)CC(C(=O)O)NC(=O)OCC2=CC=CC=C2)O

InChI

InChI=1S/C20H21NO6/c1-2-17(22)15-10-14(8-9-18(15)23)11-16(19(24)25)21-20(26)27-12-13-6-4-3-5-7-13/h3-10,16,23H,2,11-12H2,1H3,(H,21,26)(H,24,25)