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

Systemtic Name: [2-(cyclohexylcarbamoylamino)-2-oxidanylidene-ethyl] (2S)-3-methyl-2-(2-phenylethanoylamino)butanoate Openeye Name: [2-(cyclohexylcarbamoylamino)-2-oxo-ethyl] (2S)-3-methyl-2-[(2-phenylacetyl)amino]butanoate CAS Name: (2S)-3-methyl-2-[(1-oxo-2-phenylethyl)amino]butanoic acid [2-[[(cyclohexylamino)-oxomethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-(cyclohexylcarbamoylamino)-2-oxoethyl] (2S)-3-methyl-2-[(2-phenylacetyl)amino]butanoate Traditional Name: (2S)-3-methyl-2-[(2-phenylacetyl)amino]butyric acid [2-(cyclohexylcarbamoylamino)-2-keto-ethyl] ester Formula: C22H31N3O5 MolecularWeight: 417.49864

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OCC(=O)NC(=O)NC1CCCCC1)NC(=O)CC2=CC=CC=C2

Isomeric SMILES

CC(C)[C@@H](C(=O)OCC(=O)NC(=O)NC1CCCCC1)NC(=O)CC2=CC=CC=C2

InChI

InChI=1S/C22H31N3O5/c1-15(2)20(24-18(26)13-16-9-5-3-6-10-16)21(28)30-14-19(27)25-22(29)23-17-11-7-4-8-12-17/h3,5-6,9-10,15,17,20H,4,7-8,11-14H2,1-2H3,(H,24,26)(H2,23,25,27,29)/t20-/m0/s1