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

Systemtic Name: [2-(azocan-1-yl)-2-oxidanylidene-ethyl] (2S)-2-[(2-fluorophenyl)carbonylamino]-3-methyl-butanoate Openeye Name: [2-(azocan-1-yl)-2-oxo-ethyl] (2S)-2-[(2-fluorobenzoyl)amino]-3-methyl-butanoate CAS Name: (2S)-2-[[(2-fluorophenyl)-oxomethyl]amino]-3-methylbutanoic acid [2-(1-azocanyl)-2-oxoethyl] ester IUPAC Name: [2-(azocan-1-yl)-2-oxoethyl] (2S)-2-[(2-fluorobenzoyl)amino]-3-methylbutanoate Traditional Name: (2S)-2-[(2-fluorobenzoyl)amino]-3-methyl-butyric acid [2-(azocan-1-yl)-2-keto-ethyl] ester Formula: C21H29FN2O4 MolecularWeight: 392.464363

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OCC(=O)N1CCCCCCC1)NC(=O)C2=CC=CC=C2F

Isomeric SMILES

CC(C)[C@@H](C(=O)OCC(=O)N1CCCCCCC1)NC(=O)C2=CC=CC=C2F

InChI

InChI=1S/C21H29FN2O4/c1-15(2)19(23-20(26)16-10-6-7-11-17(16)22)21(27)28-14-18(25)24-12-8-4-3-5-9-13-24/h6-7,10-11,15,19H,3-5,8-9,12-14H2,1-2H3,(H,23,26)/t19-/m0/s1