[(2S)-1-(4-fluorophenyl)-1-oxidanylidene-propan-2-yl] (2S)-2-(1-adamantylcarbonylamino)propanoate

Systemtic Name: [(2S)-1-(4-fluorophenyl)-1-oxidanylidene-propan-2-yl] (2S)-2-(1-adamantylcarbonylamino)propanoate Openeye Name: [(1S)-2-(4-fluorophenyl)-1-methyl-2-oxo-ethyl] (2S)-2-(adamantane-1-carbonylamino)propanoate CAS Name: (2S)-2-[[1-adamantyl(oxo)methyl]amino]propanoic acid [(2S)-1-(4-fluorophenyl)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(4-fluorophenyl)-1-oxopropan-2-yl] (2S)-2-(adamantane-1-carbonylamino)propanoate Traditional Name: (2S)-2-(adamantane-1-carbonylamino)propionic acid [(1S)-2-(4-fluorophenyl)-2-keto-1-methyl-ethyl] ester Formula: C23H28FNO4 MolecularWeight: 401.471123

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OC(C)C(=O)C1=CC=C(C=C1)F)NC(=O)C23CC4CC(C2)CC(C4)C3

Isomeric SMILES

C[C@@H](C(=O)O[C@@H](C)C(=O)C1=CC=C(C=C1)F)NC(=O)C23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C23H28FNO4/c1-13(21(27)29-14(2)20(26)18-3-5-19(24)6-4-18)25-22(28)23-10-15-7-16(11-23)9-17(8-15)12-23/h3-6,13-17H,7-12H2,1-2H3,(H,25,28)/t13-,14-,15?,16?,17?,23?/m0/s1