(2S)-2-[[(1S)-2-acetamido-1-(4,6-dimethylpyrimidin-2-yl)-2-oxidanylidene-1-phenyl-ethyl]amino]-N-cyclohexyl-propanamide

Systemtic Name: (2S)-2-[[(1S)-2-acetamido-1-(4,6-dimethylpyrimidin-2-yl)-2-oxidanylidene-1-phenyl-ethyl]amino]-N-cyclohexyl-propanamide Openeye Name: (2S)-2-[[(1S)-2-acetamido-1-(4,6-dimethylpyrimidin-2-yl)-2-oxo-1-phenyl-ethyl]amino]-N-cyclohexyl-propanamide CAS Name: (2S)-2-[[(1S)-2-acetamido-1-(4,6-dimethyl-2-pyrimidinyl)-2-oxo-1-phenylethyl]amino]-N-cyclohexylpropanamide IUPAC Name: (2S)-2-[[(1S)-2-acetamido-1-(4,6-dimethylpyrimidin-2-yl)-2-oxo-1-phenylethyl]amino]-N-cyclohexylpropanamide Traditional Name: (2S)-2-[[(1S)-2-acetamido-1-(4,6-dimethylpyrimidin-2-yl)-2-keto-1-phenyl-ethyl]amino]-N-cyclohexyl-propionamide Formula: C25H33N5O3 MolecularWeight: 451.56122

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)C(C2=CC=CC=C2)(C(=O)NC(=O)C)NC(C)C(=O)NC3CCCCC3)C

Isomeric SMILES

CC1=CC(=NC(=N1)[C@@](C2=CC=CC=C2)(C(=O)NC(=O)C)N[C@@H](C)C(=O)NC3CCCCC3)C

InChI

InChI=1S/C25H33N5O3/c1-16-15-17(2)27-23(26-16)25(24(33)28-19(4)31,20-11-7-5-8-12-20)30-18(3)22(32)29-21-13-9-6-10-14-21/h5,7-8,11-12,15,18,21,30H,6,9-10,13-14H2,1-4H3,(H,29,32)(H,28,31,33)/t18-,25-/m0/s1