methyl (2R,3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-[[(2R)-3,3,3-tris(fluoranyl)-2-methoxy-2-phenyl-propanoyl]amino]butanoate

Systemtic Name: methyl (2R,3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-[[(2R)-3,3,3-tris(fluoranyl)-2-methoxy-2-phenyl-propanoyl]amino]butanoate Openeye Name: methyl (2R,3S)-3-(tert-butoxycarbonylamino)-2-[[(2R)-3,3,3-trifluoro-2-methoxy-2-phenyl-propanoyl]amino]butanoate CAS Name: (2R,3S)-3-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-2-[[(2R)-3,3,3-trifluoro-2-methoxy-1-oxo-2-phenylpropyl]amino]butanoic acid methyl ester IUPAC Name: methyl (2R,3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-[[(2R)-3,3,3-trifluoro-2-methoxy-2-phenylpropanoyl]amino]butanoate Traditional Name: (2R,3S)-3-(tert-butoxycarbonylamino)-2-[[(2R)-3,3,3-trifluoro-2-methoxy-2-phenyl-propanoyl]amino]butyric acid methyl ester Formula: C20H27F3N2O6 MolecularWeight: 448.43339

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H27F3N2O6/c1-12(24-17(28)31-18(2,3)4)14(15(26)29-5)25-16(27)19(30-6,20(21,22)23)13-10-8-7-9-11-13/h7-12,14H,1-6H3,(H,24,28)(H,25,27)/t12-,14+,19+/m0/s1