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

Systemtic Name: 4-methoxy-2-[3-[[2-(methylsulfonylamino)-3-naphthalen-2-ylsulfinyl-propanoyl]amino]-2-oxidanyl-4-phenyl-butyl]cyclohexane-1-carboxylic acid Openeye Name: 2-[2-hydroxy-3-[[2-(methanesulfonamido)-3-(2-naphthylsulfinyl)propanoyl]amino]-4-phenyl-butyl]-4-methoxy-cyclohexanecarboxylic acid CAS Name: 2-[2-hydroxy-3-[[2-(methanesulfonamido)-3-(2-naphthalenylsulfinyl)-1-oxopropyl]amino]-4-phenylbutyl]-4-methoxy-1-cyclohexanecarboxylic acid IUPAC Name: 2-[2-hydroxy-3-[[2-(methanesulfonamido)-3-naphthalen-2-ylsulfinylpropanoyl]amino]-4-phenylbutyl]-4-methoxycyclohexane-1-carboxylic acid Traditional Name: 2-[2-hydroxy-3-[[2-(methanesulfonamido)-3-(2-naphthylsulfinyl)propanoyl]amino]-4-phenyl-butyl]-4-methoxy-cyclohexanecarboxylic acid Formula: C32H40N2O8S2 MolecularWeight: 644.7986

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Descriptors Computed from Structure

Canonical SMILES:

COC1CCC(C(C1)CC(C(CC2=CC=CC=C2)NC(=O)C(CS(=O)C3=CC4=CC=CC=C4C=C3)NS(=O)(=O)C)O)C(=O)O

Isomeric SMILES

COC1CCC(C(C1)CC(C(CC2=CC=CC=C2)NC(=O)C(CS(=O)C3=CC4=CC=CC=C4C=C3)NS(=O)(=O)C)O)C(=O)O

InChI

InChI=1S/C32H40N2O8S2/c1-42-25-13-15-27(32(37)38)24(17-25)19-30(35)28(16-21-8-4-3-5-9-21)33-31(36)29(34-44(2,40)41)20-43(39)26-14-12-22-10-6-7-11-23(22)18-26/h3-12,14,18,24-25,27-30,34-35H,13,15-17,19-20H2,1-2H3,(H,33,36)(H,37,38)