tert-butyl 3-[[[(2S)-2-azanyl-4-methoxy-4-oxidanylidene-butanoyl]-methyl-amino]methyl]-4-fluoranyl-benzoate

Systemtic Name: tert-butyl 3-[[[(2S)-2-azanyl-4-methoxy-4-oxidanylidene-butanoyl]-methyl-amino]methyl]-4-fluoranyl-benzoate Openeye Name: tert-butyl 3-[[[(2S)-2-amino-4-methoxy-4-oxo-butanoyl]-methyl-amino]methyl]-4-fluoro-benzoate CAS Name: 3-[[[(2S)-2-amino-4-methoxy-1,4-dioxobutyl]-methylamino]methyl]-4-fluorobenzoic acid tert-butyl ester IUPAC Name: tert-butyl 3-[[[(2S)-2-amino-4-methoxy-4-oxobutanoyl]-methylamino]methyl]-4-fluorobenzoate Traditional Name: 3-[[[(2S)-2-amino-4-keto-4-methoxy-butanoyl]-methyl-amino]methyl]-4-fluoro-benzoic acid tert-butyl ester Formula: C18H25FN2O5 MolecularWeight: 368.399903

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C1=CC(=C(C=C1)F)CN(C)C(=O)C(CC(=O)OC)N

Isomeric SMILES

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

InChI

InChI=1S/C18H25FN2O5/c1-18(2,3)26-17(24)11-6-7-13(19)12(8-11)10-21(4)16(23)14(20)9-15(22)25-5/h6-8,14H,9-10,20H2,1-5H3/t14-/m0/s1