(5-phenyl-1,2-oxazol-3-yl)methyl (2S)-2-[(2-fluorophenyl)carbonylamino]-3-methyl-butanoate

Systemtic Name: (5-phenyl-1,2-oxazol-3-yl)methyl (2S)-2-[(2-fluorophenyl)carbonylamino]-3-methyl-butanoate Openeye Name: (5-phenylisoxazol-3-yl)methyl (2S)-2-[(2-fluorobenzoyl)amino]-3-methyl-butanoate CAS Name: (2S)-2-[[(2-fluorophenyl)-oxomethyl]amino]-3-methylbutanoic acid (5-phenyl-3-isoxazolyl)methyl ester IUPAC Name: (5-phenyl-1,2-oxazol-3-yl)methyl (2S)-2-[(2-fluorobenzoyl)amino]-3-methylbutanoate Traditional Name: (2S)-2-[(2-fluorobenzoyl)amino]-3-methyl-butyric acid (5-phenylisoxazol-3-yl)methyl ester Formula: C22H21FN2O4 MolecularWeight: 396.411543

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OCC1=NOC(=C1)C2=CC=CC=C2)NC(=O)C3=CC=CC=C3F

Isomeric SMILES

CC(C)[C@@H](C(=O)OCC1=NOC(=C1)C2=CC=CC=C2)NC(=O)C3=CC=CC=C3F

InChI

InChI=1S/C22H21FN2O4/c1-14(2)20(24-21(26)17-10-6-7-11-18(17)23)22(27)28-13-16-12-19(29-25-16)15-8-4-3-5-9-15/h3-12,14,20H,13H2,1-2H3,(H,24,26)/t20-/m0/s1