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

Systemtic Name: 5-methoxy-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]-5-methoxy-cyclohexanecarboxylic acid CAS Name: 2-[2-hydroxy-3-[[2-(methanesulfonamido)-3-(1-naphthalenylthio)-1-oxopropyl]amino]-4-phenylbutyl]-5-methoxy-1-cyclohexanecarboxylic acid IUPAC Name: 2-[2-hydroxy-3-[[2-(methanesulfonamido)-3-naphthalen-1-ylsulfanylpropanoyl]amino]-4-phenylbutyl]-5-methoxycyclohexane-1-carboxylic acid Traditional Name: 2-[2-hydroxy-3-[[2-(methanesulfonamido)-3-(1-naphthylthio)propanoyl]amino]-4-phenyl-butyl]-5-methoxy-cyclohexanecarboxylic acid Formula: C32H40N2O7S2 MolecularWeight: 628.7992

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1CCC(C(C1)C(=O)O)CC(C(CC2=CC=CC=C2)NC(=O)C(CSC3=CC=CC4=CC=CC=C43)NS(=O)(=O)C)O

Isomeric SMILES

COC1CCC(C(C1)C(=O)O)CC(C(CC2=CC=CC=C2)NC(=O)C(CSC3=CC=CC4=CC=CC=C43)NS(=O)(=O)C)O

InChI

InChI=1S/C32H40N2O7S2/c1-41-24-16-15-23(26(19-24)32(37)38)18-29(35)27(17-21-9-4-3-5-10-21)33-31(36)28(34-43(2,39)40)20-42-30-14-8-12-22-11-6-7-13-25(22)30/h3-14,23-24,26-29,34-35H,15-20H2,1-2H3,(H,33,36)(H,37,38)