[2-[2-(4-fluorophenyl)ethylamino]-2-oxidanylidene-ethyl] 3-(1-adamantylcarbamoylamino)propanoate

Systemtic Name: [2-[2-(4-fluorophenyl)ethylamino]-2-oxidanylidene-ethyl] 3-(1-adamantylcarbamoylamino)propanoate Openeye Name: [2-[2-(4-fluorophenyl)ethylamino]-2-oxo-ethyl] 3-(1-adamantylcarbamoylamino)propanoate CAS Name: 3-[[(1-adamantylamino)-oxomethyl]amino]propanoic acid [2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl] ester IUPAC Name: [2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl] 3-(1-adamantylcarbamoylamino)propanoate Traditional Name: 3-(1-adamantylcarbamoylamino)propionic acid [2-[2-(4-fluorophenyl)ethylamino]-2-keto-ethyl] ester Formula: C24H32FN3O4 MolecularWeight: 445.526983

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)NC(=O)NCCC(=O)OCC(=O)NCCC4=CC=C(C=C4)F

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)NC(=O)NCCC(=O)OCC(=O)NCCC4=CC=C(C=C4)F

InChI

InChI=1S/C24H32FN3O4/c25-20-3-1-16(2-4-20)5-7-26-21(29)15-32-22(30)6-8-27-23(31)28-24-12-17-9-18(13-24)11-19(10-17)14-24/h1-4,17-19H,5-15H2,(H,26,29)(H2,27,28,31)