[(2S)-1-oxidanylidene-1-phenylazanyl-propan-2-yl] (2S)-3-methyl-2-(2-phenoxyethanoylamino)butanoate

Systemtic Name: [(2S)-1-oxidanylidene-1-phenylazanyl-propan-2-yl] (2S)-3-methyl-2-(2-phenoxyethanoylamino)butanoate Openeye Name: [(1S)-2-anilino-1-methyl-2-oxo-ethyl] (2S)-3-methyl-2-[(2-phenoxyacetyl)amino]butanoate CAS Name: (2S)-3-methyl-2-[(1-oxo-2-phenoxyethyl)amino]butanoic acid [(2S)-1-anilino-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-anilino-1-oxopropan-2-yl] (2S)-3-methyl-2-[(2-phenoxyacetyl)amino]butanoate Traditional Name: (2S)-3-methyl-2-[(2-phenoxyacetyl)amino]butyric acid [(1S)-2-anilino-2-keto-1-methyl-ethyl] ester Formula: C22H26N2O5 MolecularWeight: 398.45224

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OC(C)C(=O)NC1=CC=CC=C1)NC(=O)COC2=CC=CC=C2

Isomeric SMILES

C[C@@H](C(=O)NC1=CC=CC=C1)OC(=O)[C@H](C(C)C)NC(=O)COC2=CC=CC=C2

InChI

InChI=1S/C22H26N2O5/c1-15(2)20(24-19(25)14-28-18-12-8-5-9-13-18)22(27)29-16(3)21(26)23-17-10-6-4-7-11-17/h4-13,15-16,20H,14H2,1-3H3,(H,23,26)(H,24,25)/t16-,20-/m0/s1