[2-[(5-acetamido-2-methoxy-phenyl)amino]-2-oxidanylidene-ethyl] (2S)-3-methyl-2-(2-phenylethanoylamino)butanoate

Systemtic Name: [2-[(5-acetamido-2-methoxy-phenyl)amino]-2-oxidanylidene-ethyl] (2S)-3-methyl-2-(2-phenylethanoylamino)butanoate Openeye Name: [2-(5-acetamido-2-methoxy-anilino)-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-(5-acetamido-2-methoxyanilino)-2-oxoethyl] ester IUPAC Name: [2-(5-acetamido-2-methoxyanilino)-2-oxoethyl] (2S)-3-methyl-2-[(2-phenylacetyl)amino]butanoate Traditional Name: (2S)-3-methyl-2-[(2-phenylacetyl)amino]butyric acid [2-(5-acetamido-2-methoxy-anilino)-2-keto-ethyl] ester Formula: C24H29N3O6 MolecularWeight: 455.50356

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OCC(=O)NC1=C(C=CC(=C1)NC(=O)C)OC)NC(=O)CC2=CC=CC=C2

Isomeric SMILES

CC(C)[C@@H](C(=O)OCC(=O)NC1=C(C=CC(=C1)NC(=O)C)OC)NC(=O)CC2=CC=CC=C2

InChI

InChI=1S/C24H29N3O6/c1-15(2)23(27-21(29)12-17-8-6-5-7-9-17)24(31)33-14-22(30)26-19-13-18(25-16(3)28)10-11-20(19)32-4/h5-11,13,15,23H,12,14H2,1-4H3,(H,25,28)(H,26,30)(H,27,29)/t23-/m0/s1