(2R,4R,5R)-5-[(1S)-1-acetamido-3-methyl-butyl]-4-(1,2-oxazol-5-yl)pyrrolidine-2-carboxylic acid; 2,2,2-tris(fluoranyl)ethanoic acid

Systemtic Name: (2R,4R,5R)-5-[(1S)-1-acetamido-3-methyl-butyl]-4-(1,2-oxazol-5-yl)pyrrolidine-2-carboxylic acid; 2,2,2-tris(fluoranyl)ethanoic acid Openeye Name: (2R,4R,5R)-5-[(1S)-1-acetamido-3-methyl-butyl]-4-isoxazol-5-yl-pyrrolidine-2-carboxylic acid; 2,2,2-trifluoroacetic acid CAS Name: (2R,4R,5R)-5-[(1S)-1-acetamido-3-methylbutyl]-4-(5-isoxazolyl)-2-pyrrolidinecarboxylic acid; 2,2,2-trifluoroacetic acid IUPAC Name: (2R,4R,5R)-5-[(1S)-1-acetamido-3-methylbutyl]-4-(1,2-oxazol-5-yl)pyrrolidine-2-carboxylic acid; 2,2,2-trifluoroacetic acid Traditional Name: (2R,4R,5R)-5-[(1S)-1-acetamido-3-methyl-butyl]-4-isoxazol-5-yl-proline; 2,2,2-trifluoroacetic acid Formula: C17H24F3N3O6 MolecularWeight: 423.38417

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C1C(CC(N1)C(=O)O)C2=CC=NO2)NC(=O)C.C(=O)(C(F)(F)F)O

Isomeric SMILES

CC(C)C[C@@H]([C@H]1[C@@H](C[C@@H](N1)C(=O)O)C2=CC=NO2)NC(=O)C.C(=O)(C(F)(F)F)O

InChI

InChI=1S/C15H23N3O4.C2HF3O2/c1-8(2)6-11(17-9(3)19)14-10(13-4-5-16-22-13)7-12(18-14)15(20)21;3-2(4,5)1(6)7/h4-5,8,10-12,14,18H,6-7H2,1-3H3,(H,17,19)(H,20,21);(H,6,7)/t10-,11-,12+,14+;/m0./s1