ethyl (2S)-3,3,3-tris(fluoranyl)-2-(3-methylbutanoylamino)-2-phenylazanyl-propanoate

Systemtic Name: ethyl (2S)-3,3,3-tris(fluoranyl)-2-(3-methylbutanoylamino)-2-phenylazanyl-propanoate Openeye Name: ethyl (2S)-2-anilino-3,3,3-trifluoro-2-(3-methylbutanoylamino)propanoate CAS Name: (2S)-2-anilino-3,3,3-trifluoro-2-[(3-methyl-1-oxobutyl)amino]propanoic acid ethyl ester IUPAC Name: ethyl (2S)-2-anilino-3,3,3-trifluoro-2-(3-methylbutanoylamino)propanoate Traditional Name: (2S)-2-anilino-3,3,3-trifluoro-2-(isovalerylamino)propionic acid ethyl ester Formula: C16H21F3N2O3 MolecularWeight: 346.34475

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C(F)(F)F)(NC1=CC=CC=C1)NC(=O)CC(C)C

Isomeric SMILES

CCOC(=O)[C@](C(F)(F)F)(NC1=CC=CC=C1)NC(=O)CC(C)C

InChI

InChI=1S/C16H21F3N2O3/c1-4-24-14(23)15(16(17,18)19,21-13(22)10-11(2)3)20-12-8-6-5-7-9-12/h5-9,11,20H,4,10H2,1-3H3,(H,21,22)/t15-/m0/s1