(1-oxidanylidene-1-phenyl-propan-2-yl) (2S)-2-[(4-tert-butylphenyl)carbonylamino]-3-methyl-butanoate

Systemtic Name: (1-oxidanylidene-1-phenyl-propan-2-yl) (2S)-2-[(4-tert-butylphenyl)carbonylamino]-3-methyl-butanoate Openeye Name: (1-methyl-2-oxo-2-phenyl-ethyl) (2S)-2-[(4-tert-butylbenzoyl)amino]-3-methyl-butanoate CAS Name: (2S)-2-[[(4-tert-butylphenyl)-oxomethyl]amino]-3-methylbutanoic acid (1-oxo-1-phenylpropan-2-yl) ester IUPAC Name: (1-oxo-1-phenylpropan-2-yl) (2S)-2-[(4-tert-butylbenzoyl)amino]-3-methylbutanoate Traditional Name: (2S)-2-[(4-tert-butylbenzoyl)amino]-3-methyl-butyric acid (2-keto-1-methyl-2-phenyl-ethyl) ester Formula: C25H31NO4 MolecularWeight: 409.51794

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H31NO4/c1-16(2)21(24(29)30-17(3)22(27)18-10-8-7-9-11-18)26-23(28)19-12-14-20(15-13-19)25(4,5)6/h7-17,21H,1-6H3,(H,26,28)/t17?,21-/m0/s1