[(1S)-2-[(4-fluorophenyl)amino]-2-oxidanylidene-1-phenyl-ethyl] (5S,7R)-3-acetamidoadamantane-1-carboxylate

Systemtic Name: [(1S)-2-[(4-fluorophenyl)amino]-2-oxidanylidene-1-phenyl-ethyl] (5S,7R)-3-acetamidoadamantane-1-carboxylate Openeye Name: [(1S)-2-(4-fluoroanilino)-2-oxo-1-phenyl-ethyl] (5S,7R)-3-acetamidoadamantane-1-carboxylate CAS Name: (5S,7R)-3-acetamido-1-adamantanecarboxylic acid [(1S)-2-(4-fluoroanilino)-2-oxo-1-phenylethyl] ester IUPAC Name: [(1S)-2-(4-fluoroanilino)-2-oxo-1-phenylethyl] (5S,7R)-3-acetamidoadamantane-1-carboxylate Traditional Name: (5S,7R)-3-acetamidoadamantane-1-carboxylic acid [(1S)-2-(4-fluoroanilino)-2-keto-1-phenyl-ethyl] ester Formula: C27H29FN2O4 MolecularWeight: 464.528563

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC12CC3CC(C1)CC(C3)(C2)C(=O)OC(C4=CC=CC=C4)C(=O)NC5=CC=C(C=C5)F

Isomeric SMILES

CC(=O)NC12C[C@@H]3C[C@H](C1)CC(C3)(C2)C(=O)O[C@@H](C4=CC=CC=C4)C(=O)NC5=CC=C(C=C5)F

InChI

InChI=1S/C27H29FN2O4/c1-17(31)30-27-14-18-11-19(15-27)13-26(12-18,16-27)25(33)34-23(20-5-3-2-4-6-20)24(32)29-22-9-7-21(28)8-10-22/h2-10,18-19,23H,11-16H2,1H3,(H,29,32)(H,30,31)/t18-,19+,23-,26?,27?/m0/s1