[1-[4-(2,2-dimethylpropanoylamino)phenyl]-1-oxidanylidene-propan-2-yl] (2S)-2-benzamido-3-methyl-butanoate

Systemtic Name: [1-[4-(2,2-dimethylpropanoylamino)phenyl]-1-oxidanylidene-propan-2-yl] (2S)-2-benzamido-3-methyl-butanoate Openeye Name: [2-[4-(2,2-dimethylpropanoylamino)phenyl]-1-methyl-2-oxo-ethyl] (2S)-2-benzamido-3-methyl-butanoate CAS Name: (2S)-2-benzamido-3-methylbutanoic acid [1-[4-[(2,2-dimethyl-1-oxopropyl)amino]phenyl]-1-oxopropan-2-yl] ester IUPAC Name: [1-[4-(2,2-dimethylpropanoylamino)phenyl]-1-oxopropan-2-yl] (2S)-2-benzamido-3-methylbutanoate Traditional Name: (2S)-2-benzamido-3-methyl-butyric acid [2-keto-1-methyl-2-[4-(pivaloylamino)phenyl]ethyl] ester Formula: C26H32N2O5 MolecularWeight: 452.54268

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H32N2O5/c1-16(2)21(28-23(30)19-10-8-7-9-11-19)24(31)33-17(3)22(29)18-12-14-20(15-13-18)27-25(32)26(4,5)6/h7-17,21H,1-6H3,(H,27,32)(H,28,30)/t17?,21-/m0/s1