4-methyl-2-[3-[[2-(methylsulfonylamino)-3-naphthalen-2-ylsulfinyl-propanoyl]amino]-2-oxidanyl-4-phenyl-butyl]cyclopentane-1-carboxylic acid

Systemtic Name: 4-methyl-2-[3-[[2-(methylsulfonylamino)-3-naphthalen-2-ylsulfinyl-propanoyl]amino]-2-oxidanyl-4-phenyl-butyl]cyclopentane-1-carboxylic acid Openeye Name: 2-[2-hydroxy-3-[[2-(methanesulfonamido)-3-(2-naphthylsulfinyl)propanoyl]amino]-4-phenyl-butyl]-4-methyl-cyclopentanecarboxylic acid CAS Name: 2-[2-hydroxy-3-[[2-(methanesulfonamido)-3-(2-naphthalenylsulfinyl)-1-oxopropyl]amino]-4-phenylbutyl]-4-methyl-1-cyclopentanecarboxylic acid IUPAC Name: 2-[2-hydroxy-3-[[2-(methanesulfonamido)-3-naphthalen-2-ylsulfinylpropanoyl]amino]-4-phenylbutyl]-4-methylcyclopentane-1-carboxylic acid Traditional Name: 2-[2-hydroxy-3-[[2-(methanesulfonamido)-3-(2-naphthylsulfinyl)propanoyl]amino]-4-phenyl-butyl]-4-methyl-cyclopentanecarboxylic acid Formula: C31H38N2O7S2 MolecularWeight: 614.77262

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CC(C(C1)C(=O)O)CC(C(CC2=CC=CC=C2)NC(=O)C(CS(=O)C3=CC4=CC=CC=C4C=C3)NS(=O)(=O)C)O

Isomeric SMILES

CC1CC(C(C1)C(=O)O)CC(C(CC2=CC=CC=C2)NC(=O)C(CS(=O)C3=CC4=CC=CC=C4C=C3)NS(=O)(=O)C)O

InChI

InChI=1S/C31H38N2O7S2/c1-20-14-24(26(15-20)31(36)37)18-29(34)27(16-21-8-4-3-5-9-21)32-30(35)28(33-42(2,39)40)19-41(38)25-13-12-22-10-6-7-11-23(22)17-25/h3-13,17,20,24,26-29,33-34H,14-16,18-19H2,1-2H3,(H,32,35)(H,36,37)