3-[[3-[(5-phenoxythiophen-2-yl)methylcarbamoyl]pyridin-2-yl]amino]propanoic acid

Systemtic Name: 3-[[3-[(5-phenoxythiophen-2-yl)methylcarbamoyl]pyridin-2-yl]amino]propanoic acid Openeye Name: 3-[[3-[(5-phenoxy-2-thienyl)methylcarbamoyl]-2-pyridyl]amino]propanoic acid CAS Name: 3-[[3-[oxo-[(5-phenoxy-2-thiophenyl)methylamino]methyl]-2-pyridinyl]amino]propanoic acid IUPAC Name: 3-[[3-[(5-phenoxythiophen-2-yl)methylcarbamoyl]pyridin-2-yl]amino]propanoic acid Traditional Name: 3-[[3-[(5-phenoxy-2-thienyl)methylcarbamoyl]-2-pyridyl]amino]propionic acid Formula: C20H19N3O4S MolecularWeight: 397.44756

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OC2=CC=C(S2)CNC(=O)C3=C(N=CC=C3)NCCC(=O)O

Isomeric SMILES

C1=CC=C(C=C1)OC2=CC=C(S2)CNC(=O)C3=C(N=CC=C3)NCCC(=O)O

InChI

InChI=1S/C20H19N3O4S/c24-17(25)10-12-22-19-16(7-4-11-21-19)20(26)23-13-15-8-9-18(28-15)27-14-5-2-1-3-6-14/h1-9,11H,10,12-13H2,(H,21,22)(H,23,26)(H,24,25)