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

Systemtic Name: [2-(azocan-1-yl)-2-oxidanylidene-ethyl] (2S)-3-methyl-2-(2-phenoxyethanoylamino)butanoate Openeye Name: [2-(azocan-1-yl)-2-oxo-ethyl] (2S)-3-methyl-2-[(2-phenoxyacetyl)amino]butanoate CAS Name: (2S)-3-methyl-2-[(1-oxo-2-phenoxyethyl)amino]butanoic acid [2-(1-azocanyl)-2-oxoethyl] ester IUPAC Name: [2-(azocan-1-yl)-2-oxoethyl] (2S)-3-methyl-2-[(2-phenoxyacetyl)amino]butanoate Traditional Name: (2S)-3-methyl-2-[(2-phenoxyacetyl)amino]butyric acid [2-(azocan-1-yl)-2-keto-ethyl] ester Formula: C22H32N2O5 MolecularWeight: 404.49988

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OCC(=O)N1CCCCCCC1)NC(=O)COC2=CC=CC=C2

Isomeric SMILES

CC(C)[C@@H](C(=O)OCC(=O)N1CCCCCCC1)NC(=O)COC2=CC=CC=C2

InChI

InChI=1S/C22H32N2O5/c1-17(2)21(23-19(25)15-28-18-11-7-6-8-12-18)22(27)29-16-20(26)24-13-9-4-3-5-10-14-24/h6-8,11-12,17,21H,3-5,9-10,13-16H2,1-2H3,(H,23,25)/t21-/m0/s1