[(2R)-1-(1-adamantylamino)-1-oxidanylidene-propan-2-yl] 2-[(3-fluorophenyl)carbonylamino]ethanoate

Systemtic Name: [(2R)-1-(1-adamantylamino)-1-oxidanylidene-propan-2-yl] 2-[(3-fluorophenyl)carbonylamino]ethanoate Openeye Name: [(1R)-2-(1-adamantylamino)-1-methyl-2-oxo-ethyl] 2-[(3-fluorobenzoyl)amino]acetate CAS Name: 2-[[(3-fluorophenyl)-oxomethyl]amino]acetic acid [(2R)-1-(1-adamantylamino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(1-adamantylamino)-1-oxopropan-2-yl] 2-[(3-fluorobenzoyl)amino]acetate Traditional Name: 2-[(3-fluorobenzoyl)amino]acetic acid [(1R)-2-(1-adamantylamino)-2-keto-1-methyl-ethyl] ester Formula: C22H27FN2O4 MolecularWeight: 402.459183

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C[C@H](C(=O)NC12CC3CC(C1)CC(C3)C2)OC(=O)CNC(=O)C4=CC(=CC=C4)F

InChI

InChI=1S/C22H27FN2O4/c1-13(29-19(26)12-24-21(28)17-3-2-4-18(23)8-17)20(27)25-22-9-14-5-15(10-22)7-16(6-14)11-22/h2-4,8,13-16H,5-7,9-12H2,1H3,(H,24,28)(H,25,27)/t13-,14?,15?,16?,22?/m1/s1