2-[3-[[2-(methylsulfonylamino)-3-naphthalen-1-ylsulfanyl-propanoyl]amino]-2-oxidanyl-4-phenyl-butyl]cyclohexane-1-carboxylic acid

Systemtic Name: 2-[3-[[2-(methylsulfonylamino)-3-naphthalen-1-ylsulfanyl-propanoyl]amino]-2-oxidanyl-4-phenyl-butyl]cyclohexane-1-carboxylic acid Openeye Name: 2-[2-hydroxy-3-[[2-(methanesulfonamido)-3-(1-naphthylsulfanyl)propanoyl]amino]-4-phenyl-butyl]cyclohexanecarboxylic acid CAS Name: 2-[2-hydroxy-3-[[2-(methanesulfonamido)-3-(1-naphthalenylthio)-1-oxopropyl]amino]-4-phenylbutyl]-1-cyclohexanecarboxylic acid IUPAC Name: 2-[2-hydroxy-3-[[2-(methanesulfonamido)-3-naphthalen-1-ylsulfanylpropanoyl]amino]-4-phenylbutyl]cyclohexane-1-carboxylic acid Traditional Name: 2-[2-hydroxy-3-[[2-(methanesulfonamido)-3-(1-naphthylthio)propanoyl]amino]-4-phenyl-butyl]cyclohexanecarboxylic acid Formula: C31H38N2O6S2 MolecularWeight: 598.77322

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)NC(CSC1=CC=CC2=CC=CC=C21)C(=O)NC(CC3=CC=CC=C3)C(CC4CCCCC4C(=O)O)O

Isomeric SMILES

CS(=O)(=O)NC(CSC1=CC=CC2=CC=CC=C21)C(=O)NC(CC3=CC=CC=C3)C(CC4CCCCC4C(=O)O)O

InChI

InChI=1S/C31H38N2O6S2/c1-41(38,39)33-27(20-40-29-17-9-14-22-12-5-7-15-24(22)29)30(35)32-26(18-21-10-3-2-4-11-21)28(34)19-23-13-6-8-16-25(23)31(36)37/h2-5,7,9-12,14-15,17,23,25-28,33-34H,6,8,13,16,18-20H2,1H3,(H,32,35)(H,36,37)