2-[3-[(2-azanyl-2-phenyl-ethanoyl)amino]-2-fluoranyl-4-oxidanylidene-azetidin-1-yl]-3-methyl-but-2-enoic acid

Systemtic Name: 2-[3-[(2-azanyl-2-phenyl-ethanoyl)amino]-2-fluoranyl-4-oxidanylidene-azetidin-1-yl]-3-methyl-but-2-enoic acid Openeye Name: 2-[3-[(2-amino-2-phenyl-acetyl)amino]-2-fluoro-4-oxo-azetidin-1-yl]-3-methyl-but-2-enoic acid CAS Name: 2-[3-[(2-amino-1-oxo-2-phenylethyl)amino]-2-fluoro-4-oxo-1-azetidinyl]-3-methyl-2-butenoic acid IUPAC Name: 2-[3-[(2-amino-2-phenylacetyl)amino]-2-fluoro-4-oxoazetidin-1-yl]-3-methylbut-2-enoic acid Traditional Name: 2-[3-[(2-amino-2-phenyl-acetyl)amino]-2-fluoro-4-keto-azetidin-1-yl]-3-methyl-but-2-enoic acid Formula: C16H18FN3O4 MolecularWeight: 335.330223

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C(C(=O)O)N1C(C(C1=O)NC(=O)C(C2=CC=CC=C2)N)F)C

Isomeric SMILES

CC(=C(C(=O)O)N1C(C(C1=O)NC(=O)C(C2=CC=CC=C2)N)F)C

InChI

InChI=1S/C16H18FN3O4/c1-8(2)12(16(23)24)20-13(17)11(15(20)22)19-14(21)10(18)9-6-4-3-5-7-9/h3-7,10-11,13H,18H2,1-2H3,(H,19,21)(H,23,24)