2-[[4-(2,2-dimethyl-5-pyridin-3-yl-1,3-dioxolan-4-yl)-2-phenyl-phenyl]carbonylamino]-4-methylsulfonyl-butanoic acid

Systemtic Name: 2-[[4-(2,2-dimethyl-5-pyridin-3-yl-1,3-dioxolan-4-yl)-2-phenyl-phenyl]carbonylamino]-4-methylsulfonyl-butanoic acid Openeye Name: 2-[[4-[2,2-dimethyl-5-(3-pyridyl)-1,3-dioxolan-4-yl]-2-phenyl-benzoyl]amino]-4-methylsulfonyl-butanoic acid CAS Name: 2-[[[4-[2,2-dimethyl-5-(3-pyridinyl)-1,3-dioxolan-4-yl]-2-phenylphenyl]-oxomethyl]amino]-4-methylsulfonylbutanoic acid IUPAC Name: 2-[[4-(2,2-dimethyl-5-pyridin-3-yl-1,3-dioxolan-4-yl)-2-phenylbenzoyl]amino]-4-methylsulfonylbutanoic acid Traditional Name: 2-[[4-[2,2-dimethyl-5-(3-pyridyl)-1,3-dioxolan-4-yl]-2-phenyl-benzoyl]amino]-4-mesyl-butyric acid Formula: C28H30N2O7S MolecularWeight: 538.612

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Descriptors Computed from Structure

Canonical SMILES:

CC1(OC(C(O1)C2=CN=CC=C2)C3=CC(=C(C=C3)C(=O)NC(CCS(=O)(=O)C)C(=O)O)C4=CC=CC=C4)C

Isomeric SMILES

CC1(OC(C(O1)C2=CN=CC=C2)C3=CC(=C(C=C3)C(=O)NC(CCS(=O)(=O)C)C(=O)O)C4=CC=CC=C4)C

InChI

InChI=1S/C28H30N2O7S/c1-28(2)36-24(25(37-28)20-10-7-14-29-17-20)19-11-12-21(22(16-19)18-8-5-4-6-9-18)26(31)30-23(27(32)33)13-15-38(3,34)35/h4-12,14,16-17,23-25H,13,15H2,1-3H3,(H,30,31)(H,32,33)