[(2S)-1-[(4-ethylphenyl)amino]-1-oxidanylidene-propan-2-yl] (2S)-2-(2-phenoxyethanoylamino)propanoate

Systemtic Name: [(2S)-1-[(4-ethylphenyl)amino]-1-oxidanylidene-propan-2-yl] (2S)-2-(2-phenoxyethanoylamino)propanoate Openeye Name: [(1S)-2-(4-ethylanilino)-1-methyl-2-oxo-ethyl] (2S)-2-[(2-phenoxyacetyl)amino]propanoate CAS Name: (2S)-2-[(1-oxo-2-phenoxyethyl)amino]propanoic acid [(2S)-1-(4-ethylanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(4-ethylanilino)-1-oxopropan-2-yl] (2S)-2-[(2-phenoxyacetyl)amino]propanoate Traditional Name: (2S)-2-[(2-phenoxyacetyl)amino]propionic acid [(1S)-2-(4-ethylanilino)-2-keto-1-methyl-ethyl] ester Formula: C22H26N2O5 MolecularWeight: 398.45224

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)NC(=O)C(C)OC(=O)C(C)NC(=O)COC2=CC=CC=C2

Isomeric SMILES

CCC1=CC=C(C=C1)NC(=O)[C@H](C)OC(=O)[C@H](C)NC(=O)COC2=CC=CC=C2

InChI

InChI=1S/C22H26N2O5/c1-4-17-10-12-18(13-11-17)24-21(26)16(3)29-22(27)15(2)23-20(25)14-28-19-8-6-5-7-9-19/h5-13,15-16H,4,14H2,1-3H3,(H,23,25)(H,24,26)/t15-,16-/m0/s1