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

Systemtic Name: [2-(cyclohexylcarbamoylamino)-2-oxidanylidene-ethyl] (2S)-2-[(2-fluorophenyl)carbonylamino]-3-methyl-butanoate Openeye Name: [2-(cyclohexylcarbamoylamino)-2-oxo-ethyl] (2S)-2-[(2-fluorobenzoyl)amino]-3-methyl-butanoate CAS Name: (2S)-2-[[(2-fluorophenyl)-oxomethyl]amino]-3-methylbutanoic acid [2-[[(cyclohexylamino)-oxomethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-(cyclohexylcarbamoylamino)-2-oxoethyl] (2S)-2-[(2-fluorobenzoyl)amino]-3-methylbutanoate Traditional Name: (2S)-2-[(2-fluorobenzoyl)amino]-3-methyl-butyric acid [2-(cyclohexylcarbamoylamino)-2-keto-ethyl] ester Formula: C21H28FN3O5 MolecularWeight: 421.462523

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OCC(=O)NC(=O)NC1CCCCC1)NC(=O)C2=CC=CC=C2F

Isomeric SMILES

CC(C)[C@@H](C(=O)OCC(=O)NC(=O)NC1CCCCC1)NC(=O)C2=CC=CC=C2F

InChI

InChI=1S/C21H28FN3O5/c1-13(2)18(25-19(27)15-10-6-7-11-16(15)22)20(28)30-12-17(26)24-21(29)23-14-8-4-3-5-9-14/h6-7,10-11,13-14,18H,3-5,8-9,12H2,1-2H3,(H,25,27)(H2,23,24,26,29)/t18-/m0/s1