2-azanyl-3-(methylsulfonylmethyl)-4,5-bis(oxidanyl)-3-(2-phenylphenyl)carbonyl-2-pyridin-3-yl-pentanoic acid

Systemtic Name: 2-azanyl-3-(methylsulfonylmethyl)-4,5-bis(oxidanyl)-3-(2-phenylphenyl)carbonyl-2-pyridin-3-yl-pentanoic acid Openeye Name: 2-amino-4,5-dihydroxy-3-(methylsulfonylmethyl)-3-(2-phenylbenzoyl)-2-(3-pyridyl)pentanoic acid CAS Name: 2-amino-4,5-dihydroxy-3-(methylsulfonylmethyl)-3-[oxo-(2-phenylphenyl)methyl]-2-(3-pyridinyl)pentanoic acid IUPAC Name: 2-amino-4,5-dihydroxy-3-(methylsulfonylmethyl)-3-(2-phenylbenzoyl)-2-pyridin-3-ylpentanoic acid Traditional Name: 2-amino-4,5-dihydroxy-3-(mesylmethyl)-3-(2-phenylbenzoyl)-2-(3-pyridyl)valeric acid Formula: C25H26N2O7S MolecularWeight: 498.54814

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)CC(C(CO)O)(C(=O)C1=CC=CC=C1C2=CC=CC=C2)C(C3=CN=CC=C3)(C(=O)O)N

Isomeric SMILES

CS(=O)(=O)CC(C(CO)O)(C(=O)C1=CC=CC=C1C2=CC=CC=C2)C(C3=CN=CC=C3)(C(=O)O)N

InChI

InChI=1S/C25H26N2O7S/c1-35(33,34)16-24(21(29)15-28,25(26,23(31)32)18-10-7-13-27-14-18)22(30)20-12-6-5-11-19(20)17-8-3-2-4-9-17/h2-14,21,28-29H,15-16,26H2,1H3,(H,31,32)