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

Systemtic Name: 2-oxidanyl-3-[2-[3-oxidanylidene-5-phenyl-1-(phenylsulfonyl)-2-propan-2-yl-2H-pyrazin-4-yl]ethanoylamino]-4-phenyl-butanoic acid Openeye Name: 3-[[2-[1-(benzenesulfonyl)-2-isopropyl-3-oxo-5-phenyl-2H-pyrazin-4-yl]acetyl]amino]-2-hydroxy-4-phenyl-butanoic acid CAS Name: 3-[[2-[1-(benzenesulfonyl)-3-oxo-5-phenyl-2-propan-2-yl-2H-pyrazin-4-yl]-1-oxoethyl]amino]-2-hydroxy-4-phenylbutanoic acid IUPAC Name: 3-[[2-[1-(benzenesulfonyl)-3-oxo-5-phenyl-2-propan-2-yl-2H-pyrazin-4-yl]acetyl]amino]-2-hydroxy-4-phenylbutanoic acid Traditional Name: 3-[[2-(1-besyl-2-isopropyl-3-keto-5-phenyl-2H-pyrazin-4-yl)acetyl]amino]-2-hydroxy-4-phenyl-butyric acid Formula: C31H33N3O7S MolecularWeight: 591.67462

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1C(=O)N(C(=CN1S(=O)(=O)C2=CC=CC=C2)C3=CC=CC=C3)CC(=O)NC(CC4=CC=CC=C4)C(C(=O)O)O

Isomeric SMILES

CC(C)C1C(=O)N(C(=CN1S(=O)(=O)C2=CC=CC=C2)C3=CC=CC=C3)CC(=O)NC(CC4=CC=CC=C4)C(C(=O)O)O

InChI

InChI=1S/C31H33N3O7S/c1-21(2)28-30(37)33(20-27(35)32-25(29(36)31(38)39)18-22-12-6-3-7-13-22)26(23-14-8-4-9-15-23)19-34(28)42(40,41)24-16-10-5-11-17-24/h3-17,19,21,25,28-29,36H,18,20H2,1-2H3,(H,32,35)(H,38,39)