2-[2-[[6-(phenoxymethyl)pyridin-2-yl]carbonylamino]-1,3-thiazol-4-yl]-3-phenyl-propanoic acid

Systemtic Name: 2-[2-[[6-(phenoxymethyl)pyridin-2-yl]carbonylamino]-1,3-thiazol-4-yl]-3-phenyl-propanoic acid Openeye Name: 2-[2-[[6-(phenoxymethyl)pyridine-2-carbonyl]amino]thiazol-4-yl]-3-phenyl-propanoic acid CAS Name: 2-[2-[[oxo-[6-(phenoxymethyl)-2-pyridinyl]methyl]amino]-4-thiazolyl]-3-phenylpropanoic acid IUPAC Name: 2-[2-[[6-(phenoxymethyl)pyridine-2-carbonyl]amino]-1,3-thiazol-4-yl]-3-phenylpropanoic acid Traditional Name: 2-[2-[[6-(phenoxymethyl)picolinoyl]amino]thiazol-4-yl]-3-phenyl-propionic acid Formula: C25H21N3O4S MolecularWeight: 459.51694

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(C2=CSC(=N2)NC(=O)C3=NC(=CC=C3)COC4=CC=CC=C4)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CC(C2=CSC(=N2)NC(=O)C3=NC(=CC=C3)COC4=CC=CC=C4)C(=O)O

InChI

InChI=1S/C25H21N3O4S/c29-23(21-13-7-10-18(26-21)15-32-19-11-5-2-6-12-19)28-25-27-22(16-33-25)20(24(30)31)14-17-8-3-1-4-9-17/h1-13,16,20H,14-15H2,(H,30,31)(H,27,28,29)