(2S)-2-[4-[2-(2-ethyl-6-oxidanylidene-4-phenyl-pyrimidin-1-yl)ethanoylamino]phenyl]sulfanyl-3-methyl-butanoic acid

Systemtic Name: (2S)-2-[4-[2-(2-ethyl-6-oxidanylidene-4-phenyl-pyrimidin-1-yl)ethanoylamino]phenyl]sulfanyl-3-methyl-butanoic acid Openeye Name: (2S)-2-[4-[[2-(2-ethyl-6-oxo-4-phenyl-pyrimidin-1-yl)acetyl]amino]phenyl]sulfanyl-3-methyl-butanoic acid CAS Name: (2S)-2-[[4-[[2-(2-ethyl-6-oxo-4-phenyl-1-pyrimidinyl)-1-oxoethyl]amino]phenyl]thio]-3-methylbutanoic acid IUPAC Name: (2S)-2-[4-[[2-(2-ethyl-6-oxo-4-phenylpyrimidin-1-yl)acetyl]amino]phenyl]sulfanyl-3-methylbutanoic acid Traditional Name: (2S)-2-[[4-[[2-(2-ethyl-6-keto-4-phenyl-pyrimidin-1-yl)acetyl]amino]phenyl]thio]-3-methyl-butyric acid Formula: C25H27N3O4S MolecularWeight: 465.56458

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC(=CC(=O)N1CC(=O)NC2=CC=C(C=C2)SC(C(C)C)C(=O)O)C3=CC=CC=C3

Isomeric SMILES

CCC1=NC(=CC(=O)N1CC(=O)NC2=CC=C(C=C2)S[C@@H](C(C)C)C(=O)O)C3=CC=CC=C3

InChI

InChI=1S/C25H27N3O4S/c1-4-21-27-20(17-8-6-5-7-9-17)14-23(30)28(21)15-22(29)26-18-10-12-19(13-11-18)33-24(16(2)3)25(31)32/h5-14,16,24H,4,15H2,1-3H3,(H,26,29)(H,31,32)/t24-/m0/s1