[(2S)-1-(1-adamantylcarbamoylamino)-1-oxidanylidene-propan-2-yl] 3-(4-fluorophenyl)propanoate

Systemtic Name: [(2S)-1-(1-adamantylcarbamoylamino)-1-oxidanylidene-propan-2-yl] 3-(4-fluorophenyl)propanoate Openeye Name: [(1S)-2-(1-adamantylcarbamoylamino)-1-methyl-2-oxo-ethyl] 3-(4-fluorophenyl)propanoate CAS Name: 3-(4-fluorophenyl)propanoic acid [(2S)-1-[[(1-adamantylamino)-oxomethyl]amino]-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(1-adamantylcarbamoylamino)-1-oxopropan-2-yl] 3-(4-fluorophenyl)propanoate Traditional Name: 3-(4-fluorophenyl)propionic acid [(1S)-2-(1-adamantylcarbamoylamino)-2-keto-1-methyl-ethyl] ester Formula: C23H29FN2O4 MolecularWeight: 416.485763

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(=O)NC12CC3CC(C1)CC(C3)C2)OC(=O)CCC4=CC=C(C=C4)F

Isomeric SMILES

C[C@@H](C(=O)NC(=O)NC12CC3CC(C1)CC(C3)C2)OC(=O)CCC4=CC=C(C=C4)F

InChI

InChI=1S/C23H29FN2O4/c1-14(30-20(27)7-4-15-2-5-19(24)6-3-15)21(28)25-22(29)26-23-11-16-8-17(12-23)10-18(9-16)13-23/h2-3,5-6,14,16-18H,4,7-13H2,1H3,(H2,25,26,28,29)/t14-,16?,17?,18?,23?/m0/s1