[2-[(1-cyanocyclohexyl)amino]-2-oxidanylidene-ethyl] (2S)-3-methyl-2-(2-naphthalen-1-ylethanoylamino)butanoate

Systemtic Name: [2-[(1-cyanocyclohexyl)amino]-2-oxidanylidene-ethyl] (2S)-3-methyl-2-(2-naphthalen-1-ylethanoylamino)butanoate Openeye Name: [2-[(1-cyanocyclohexyl)amino]-2-oxo-ethyl] (2S)-3-methyl-2-[[2-(1-naphthyl)acetyl]amino]butanoate CAS Name: (2S)-3-methyl-2-[[2-(1-naphthalenyl)-1-oxoethyl]amino]butanoic acid [2-[(1-cyanocyclohexyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(1-cyanocyclohexyl)amino]-2-oxoethyl] (2S)-3-methyl-2-[(2-naphthalen-1-ylacetyl)amino]butanoate Traditional Name: (2S)-3-methyl-2-[[2-(1-naphthyl)acetyl]amino]butyric acid [2-[(1-cyanocyclohexyl)amino]-2-keto-ethyl] ester Formula: C26H31N3O4 MolecularWeight: 449.54204

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OCC(=O)NC1(CCCCC1)C#N)NC(=O)CC2=CC=CC3=CC=CC=C32

Isomeric SMILES

CC(C)[C@@H](C(=O)OCC(=O)NC1(CCCCC1)C#N)NC(=O)CC2=CC=CC3=CC=CC=C32

InChI

InChI=1S/C26H31N3O4/c1-18(2)24(25(32)33-16-23(31)29-26(17-27)13-6-3-7-14-26)28-22(30)15-20-11-8-10-19-9-4-5-12-21(19)20/h4-5,8-12,18,24H,3,6-7,13-16H2,1-2H3,(H,28,30)(H,29,31)/t24-/m0/s1