3-[2-(1-methylsulfonyl-3-oxidanylidene-5-phenyl-2-propan-2-yl-2H-pyrazin-4-yl)ethanoylamino]-2-oxidanyl-4-phenyl-butanoic acid

Systemtic Name: 3-[2-(1-methylsulfonyl-3-oxidanylidene-5-phenyl-2-propan-2-yl-2H-pyrazin-4-yl)ethanoylamino]-2-oxidanyl-4-phenyl-butanoic acid Openeye Name: 2-hydroxy-3-[[2-(2-isopropyl-1-methylsulfonyl-3-oxo-5-phenyl-2H-pyrazin-4-yl)acetyl]amino]-4-phenyl-butanoic acid CAS Name: 2-hydroxy-3-[[2-(1-methylsulfonyl-3-oxo-5-phenyl-2-propan-2-yl-2H-pyrazin-4-yl)-1-oxoethyl]amino]-4-phenylbutanoic acid IUPAC Name: 2-hydroxy-3-[[2-(1-methylsulfonyl-3-oxo-5-phenyl-2-propan-2-yl-2H-pyrazin-4-yl)acetyl]amino]-4-phenylbutanoic acid Traditional Name: 2-hydroxy-3-[[2-(2-isopropyl-3-keto-1-mesyl-5-phenyl-2H-pyrazin-4-yl)acetyl]amino]-4-phenyl-butyric acid Formula: C26H31N3O7S MolecularWeight: 529.60524

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1C(=O)N(C(=CN1S(=O)(=O)C)C2=CC=CC=C2)CC(=O)NC(CC3=CC=CC=C3)C(C(=O)O)O

Isomeric SMILES

CC(C)C1C(=O)N(C(=CN1S(=O)(=O)C)C2=CC=CC=C2)CC(=O)NC(CC3=CC=CC=C3)C(C(=O)O)O

InChI

InChI=1S/C26H31N3O7S/c1-17(2)23-25(32)28(21(15-29(23)37(3,35)36)19-12-8-5-9-13-19)16-22(30)27-20(24(31)26(33)34)14-18-10-6-4-7-11-18/h4-13,15,17,20,23-24,31H,14,16H2,1-3H3,(H,27,30)(H,33,34)