[2-[(4-fluorophenyl)amino]-2-oxidanylidene-ethyl] (2S)-2-(1-adamantylcarbonylamino)-3-methyl-butanoate

Systemtic Name: [2-[(4-fluorophenyl)amino]-2-oxidanylidene-ethyl] (2S)-2-(1-adamantylcarbonylamino)-3-methyl-butanoate Openeye Name: [2-(4-fluoroanilino)-2-oxo-ethyl] (2S)-2-(adamantane-1-carbonylamino)-3-methyl-butanoate CAS Name: (2S)-2-[[1-adamantyl(oxo)methyl]amino]-3-methylbutanoic acid [2-(4-fluoroanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-fluoroanilino)-2-oxoethyl] (2S)-2-(adamantane-1-carbonylamino)-3-methylbutanoate Traditional Name: (2S)-2-(adamantane-1-carbonylamino)-3-methyl-butyric acid [2-(4-fluoroanilino)-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)NC1=CC=C(C=C1)F)NC(=O)C23CC4CC(C2)CC(C4)C3

Isomeric SMILES

CC(C)[C@@H](C(=O)OCC(=O)NC1=CC=C(C=C1)F)NC(=O)C23CC4CC(C2)CC(C4)C3

InChI

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