tert-butyl 5-fluoranyl-3-[[(2S)-3-methyl-2-(phenylmethoxycarbonylamino)butanoyl]amino]-4-oxidanyl-pentanoate

Systemtic Name: tert-butyl 5-fluoranyl-3-[[(2S)-3-methyl-2-(phenylmethoxycarbonylamino)butanoyl]amino]-4-oxidanyl-pentanoate Openeye Name: tert-butyl 3-[[(2S)-2-(benzyloxycarbonylamino)-3-methyl-butanoyl]amino]-5-fluoro-4-hydroxy-pentanoate CAS Name: 5-fluoro-4-hydroxy-3-[[(2S)-3-methyl-1-oxo-2-(phenylmethoxycarbonylamino)butyl]amino]pentanoic acid tert-butyl ester IUPAC Name: tert-butyl 5-fluoro-4-hydroxy-3-[[(2S)-3-methyl-2-(phenylmethoxycarbonylamino)butanoyl]amino]pentanoate Traditional Name: 3-[[(2S)-2-(benzyloxycarbonylamino)-3-methyl-butanoyl]amino]-5-fluoro-4-hydroxy-valeric acid tert-butyl ester Formula: C22H33FN2O6 MolecularWeight: 440.505623

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H33FN2O6/c1-14(2)19(25-21(29)30-13-15-9-7-6-8-10-15)20(28)24-16(17(26)12-23)11-18(27)31-22(3,4)5/h6-10,14,16-17,19,26H,11-13H2,1-5H3,(H,24,28)(H,25,29)/t16?,17?,19-/m0/s1