(2R)-2-[4-[2-(2-ethyl-6-oxidanylidene-4-phenyl-pyrimidin-1-yl)ethanoylamino]phenyl]sulfanyl-4-methyl-pentanoic acid

Systemtic Name: (2R)-2-[4-[2-(2-ethyl-6-oxidanylidene-4-phenyl-pyrimidin-1-yl)ethanoylamino]phenyl]sulfanyl-4-methyl-pentanoic acid Openeye Name: (2R)-2-[4-[[2-(2-ethyl-6-oxo-4-phenyl-pyrimidin-1-yl)acetyl]amino]phenyl]sulfanyl-4-methyl-pentanoic acid CAS Name: (2R)-2-[[4-[[2-(2-ethyl-6-oxo-4-phenyl-1-pyrimidinyl)-1-oxoethyl]amino]phenyl]thio]-4-methylpentanoic acid IUPAC Name: (2R)-2-[4-[[2-(2-ethyl-6-oxo-4-phenylpyrimidin-1-yl)acetyl]amino]phenyl]sulfanyl-4-methylpentanoic acid Traditional Name: (2R)-2-[[4-[[2-(2-ethyl-6-keto-4-phenyl-pyrimidin-1-yl)acetyl]amino]phenyl]thio]-4-methyl-valeric acid Formula: C26H29N3O4S MolecularWeight: 479.59116

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C26H29N3O4S/c1-4-23-28-21(18-8-6-5-7-9-18)15-25(31)29(23)16-24(30)27-19-10-12-20(13-11-19)34-22(26(32)33)14-17(2)3/h5-13,15,17,22H,4,14,16H2,1-3H3,(H,27,30)(H,32,33)/t22-/m1/s1