[2-oxidanylidene-2-(phenethylamino)ethyl] (2S)-2-[(2-fluorophenyl)carbonylamino]-3-methyl-butanoate

Systemtic Name: [2-oxidanylidene-2-(phenethylamino)ethyl] (2S)-2-[(2-fluorophenyl)carbonylamino]-3-methyl-butanoate Openeye Name: [2-oxo-2-(phenethylamino)ethyl] (2S)-2-[(2-fluorobenzoyl)amino]-3-methyl-butanoate CAS Name: (2S)-2-[[(2-fluorophenyl)-oxomethyl]amino]-3-methylbutanoic acid [2-oxo-2-(phenethylamino)ethyl] ester IUPAC Name: [2-oxo-2-(phenethylamino)ethyl] (2S)-2-[(2-fluorobenzoyl)amino]-3-methylbutanoate Traditional Name: (2S)-2-[(2-fluorobenzoyl)amino]-3-methyl-butyric acid [2-keto-2-(phenethylamino)ethyl] ester Formula: C22H25FN2O4 MolecularWeight: 400.443303

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OCC(=O)NCCC1=CC=CC=C1)NC(=O)C2=CC=CC=C2F

Isomeric SMILES

CC(C)[C@@H](C(=O)OCC(=O)NCCC1=CC=CC=C1)NC(=O)C2=CC=CC=C2F

InChI

InChI=1S/C22H25FN2O4/c1-15(2)20(25-21(27)17-10-6-7-11-18(17)23)22(28)29-14-19(26)24-13-12-16-8-4-3-5-9-16/h3-11,15,20H,12-14H2,1-2H3,(H,24,26)(H,25,27)/t20-/m0/s1