(E)-2-azanyl-3-(methylsulfonylmethyl)-2-(2-phenylphenyl)carbonyl-5-pyridin-3-yl-pent-4-enoic acid

Systemtic Name: (E)-2-azanyl-3-(methylsulfonylmethyl)-2-(2-phenylphenyl)carbonyl-5-pyridin-3-yl-pent-4-enoic acid Openeye Name: (E)-2-amino-3-(methylsulfonylmethyl)-2-(2-phenylbenzoyl)-5-(3-pyridyl)pent-4-enoic acid CAS Name: (E)-2-amino-3-(methylsulfonylmethyl)-2-[oxo-(2-phenylphenyl)methyl]-5-(3-pyridinyl)-4-pentenoic acid IUPAC Name: (E)-2-amino-3-(methylsulfonylmethyl)-2-(2-phenylbenzoyl)-5-pyridin-3-ylpent-4-enoic acid Traditional Name: (E)-2-amino-3-(mesylmethyl)-2-(2-phenylbenzoyl)-5-(3-pyridyl)pent-4-enoic acid Formula: C25H24N2O5S MolecularWeight: 464.53346

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)CC(C=CC1=CN=CC=C1)C(C(=O)C2=CC=CC=C2C3=CC=CC=C3)(C(=O)O)N

Isomeric SMILES

CS(=O)(=O)CC(/C=C/C1=CN=CC=C1)C(C(=O)C2=CC=CC=C2C3=CC=CC=C3)(C(=O)O)N

InChI

InChI=1S/C25H24N2O5S/c1-33(31,32)17-20(14-13-18-8-7-15-27-16-18)25(26,24(29)30)23(28)22-12-6-5-11-21(22)19-9-3-2-4-10-19/h2-16,20H,17,26H2,1H3,(H,29,30)/b14-13+