methyl (2S,3R)-3-oxidanyl-2-(phenylmethoxycarbonylamino)-2-(trifluoromethyl)butanoate

Systemtic Name: methyl (2S,3R)-3-oxidanyl-2-(phenylmethoxycarbonylamino)-2-(trifluoromethyl)butanoate Openeye Name: methyl (2S,3R)-2-(benzyloxycarbonylamino)-3-hydroxy-2-(trifluoromethyl)butanoate CAS Name: (2S,3R)-3-hydroxy-2-(phenylmethoxycarbonylamino)-2-(trifluoromethyl)butanoic acid methyl ester IUPAC Name: methyl (2S,3R)-3-hydroxy-2-(phenylmethoxycarbonylamino)-2-(trifluoromethyl)butanoate Traditional Name: (2S,3R)-2-(benzyloxycarbonylamino)-3-hydroxy-2-(trifluoromethyl)butyric acid methyl ester Formula: C14H16F3NO5 MolecularWeight: 335.27575

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(C(=O)OC)(C(F)(F)F)NC(=O)OCC1=CC=CC=C1)O

Isomeric SMILES

C[C@H]([C@](C(=O)OC)(C(F)(F)F)NC(=O)OCC1=CC=CC=C1)O

InChI

InChI=1S/C14H16F3NO5/c1-9(19)13(11(20)22-2,14(15,16)17)18-12(21)23-8-10-6-4-3-5-7-10/h3-7,9,19H,8H2,1-2H3,(H,18,21)/t9-,13+/m1/s1