(2S)-2-[[(1S)-2-acetamido-1-(4,6-dimethylpyrimidin-2-yl)-2-oxidanylidene-1-phenyl-ethyl]amino]-N-cyclohexyl-3-methyl-butanamide

Systemtic Name: (2S)-2-[[(1S)-2-acetamido-1-(4,6-dimethylpyrimidin-2-yl)-2-oxidanylidene-1-phenyl-ethyl]amino]-N-cyclohexyl-3-methyl-butanamide Openeye Name: (2S)-2-[[(1S)-2-acetamido-1-(4,6-dimethylpyrimidin-2-yl)-2-oxo-1-phenyl-ethyl]amino]-N-cyclohexyl-3-methyl-butanamide CAS Name: (2S)-2-[[(1S)-2-acetamido-1-(4,6-dimethyl-2-pyrimidinyl)-2-oxo-1-phenylethyl]amino]-N-cyclohexyl-3-methylbutanamide IUPAC Name: (2S)-2-[[(1S)-2-acetamido-1-(4,6-dimethylpyrimidin-2-yl)-2-oxo-1-phenylethyl]amino]-N-cyclohexyl-3-methylbutanamide Traditional Name: (2S)-2-[[(1S)-2-acetamido-1-(4,6-dimethylpyrimidin-2-yl)-2-keto-1-phenyl-ethyl]amino]-N-cyclohexyl-3-methyl-butyramide Formula: C27H37N5O3 MolecularWeight: 479.61438

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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)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)C)C(=O)NC3CCCCC3)C

InChI

InChI=1S/C27H37N5O3/c1-17(2)23(24(34)31-22-14-10-7-11-15-22)32-27(26(35)30-20(5)33,21-12-8-6-9-13-21)25-28-18(3)16-19(4)29-25/h6,8-9,12-13,16-17,22-23,32H,7,10-11,14-15H2,1-5H3,(H,31,34)(H,30,33,35)/t23-,27-/m0/s1