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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1CCC(C(C1)C(=O)O)CC(C(CC2=CC=CC=C2)NC(=O)C(CSC3=CC4=CC=CC=C4C=C3)NS(=O)(=O)C)O

Isomeric SMILES

COC1CCC(C(C1)C(=O)O)CC(C(CC2=CC=CC=C2)NC(=O)C(CSC3=CC4=CC=CC=C4C=C3)NS(=O)(=O)C)O

InChI

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