ditert-butyl (2S,4S)-2-fluoranyl-4-[[4-(methylamino)phenyl]carbonylamino]pentanedioate

Systemtic Name: ditert-butyl (2S,4S)-2-fluoranyl-4-[[4-(methylamino)phenyl]carbonylamino]pentanedioate Openeye Name: ditert-butyl (2S,4S)-2-fluoro-4-[[4-(methylamino)benzoyl]amino]pentanedioate CAS Name: (2S,4S)-2-fluoro-4-[[[4-(methylamino)phenyl]-oxomethyl]amino]pentanedioic acid ditert-butyl ester IUPAC Name: ditert-butyl (2S,4S)-2-fluoro-4-[[4-(methylamino)benzoyl]amino]pentanedioate Traditional Name: (2S,4S)-2-fluoro-4-[[4-(methylamino)benzoyl]amino]glutaric acid ditert-butyl ester Formula: C21H31FN2O5 MolecularWeight: 410.479643

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H31FN2O5/c1-20(2,3)28-18(26)15(22)12-16(19(27)29-21(4,5)6)24-17(25)13-8-10-14(23-7)11-9-13/h8-11,15-16,23H,12H2,1-7H3,(H,24,25)/t15-,16-/m0/s1