2-azanyl-4-methylsulfonyl-2-[2-phenyl-4-(pyridin-3-ylcarbonylamino)phenyl]carbonyl-butanoic acid

Systemtic Name: 2-azanyl-4-methylsulfonyl-2-[2-phenyl-4-(pyridin-3-ylcarbonylamino)phenyl]carbonyl-butanoic acid Openeye Name: 2-amino-4-methylsulfonyl-2-[2-phenyl-4-(pyridine-3-carbonylamino)benzoyl]butanoic acid CAS Name: 2-amino-4-methylsulfonyl-2-[oxo-[4-[[oxo(3-pyridinyl)methyl]amino]-2-phenylphenyl]methyl]butanoic acid IUPAC Name: 2-amino-4-methylsulfonyl-2-[2-phenyl-4-(pyridine-3-carbonylamino)benzoyl]butanoic acid Traditional Name: 2-amino-4-mesyl-2-(4-nicotinamido-2-phenyl-benzoyl)butyric acid Formula: C24H23N3O6S MolecularWeight: 481.52092

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)CCC(C(=O)C1=C(C=C(C=C1)NC(=O)C2=CN=CC=C2)C3=CC=CC=C3)(C(=O)O)N

Isomeric SMILES

CS(=O)(=O)CCC(C(=O)C1=C(C=C(C=C1)NC(=O)C2=CN=CC=C2)C3=CC=CC=C3)(C(=O)O)N

InChI

InChI=1S/C24H23N3O6S/c1-34(32,33)13-11-24(25,23(30)31)21(28)19-10-9-18(14-20(19)16-6-3-2-4-7-16)27-22(29)17-8-5-12-26-15-17/h2-10,12,14-15H,11,13,25H2,1H3,(H,27,29)(H,30,31)