[2-(1-adamantylamino)-2-oxidanylidene-ethyl] (2S)-2-[(2-fluorophenyl)carbonylamino]-3-methyl-butanoate

Systemtic Name: [2-(1-adamantylamino)-2-oxidanylidene-ethyl] (2S)-2-[(2-fluorophenyl)carbonylamino]-3-methyl-butanoate Openeye Name: [2-(1-adamantylamino)-2-oxo-ethyl] (2S)-2-[(2-fluorobenzoyl)amino]-3-methyl-butanoate CAS Name: (2S)-2-[[(2-fluorophenyl)-oxomethyl]amino]-3-methylbutanoic acid [2-(1-adamantylamino)-2-oxoethyl] ester IUPAC Name: [2-(1-adamantylamino)-2-oxoethyl] (2S)-2-[(2-fluorobenzoyl)amino]-3-methylbutanoate Traditional Name: (2S)-2-[(2-fluorobenzoyl)amino]-3-methyl-butyric acid [2-(1-adamantylamino)-2-keto-ethyl] ester Formula: C24H31FN2O4 MolecularWeight: 430.512343

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OCC(=O)NC12CC3CC(C1)CC(C3)C2)NC(=O)C4=CC=CC=C4F

Isomeric SMILES

CC(C)[C@@H](C(=O)OCC(=O)NC12CC3CC(C1)CC(C3)C2)NC(=O)C4=CC=CC=C4F

InChI

InChI=1S/C24H31FN2O4/c1-14(2)21(26-22(29)18-5-3-4-6-19(18)25)23(30)31-13-20(28)27-24-10-15-7-16(11-24)9-17(8-15)12-24/h3-6,14-17,21H,7-13H2,1-2H3,(H,26,29)(H,27,28)/t15?,16?,17?,21-,24?/m0/s1