5-methoxy-2-[3-[[2-(methylsulfonylamino)-3-quinolin-8-ylsulfanyl-propanoyl]amino]-2-oxidanyl-4-phenyl-butyl]cyclohexane-1-carboxylic acid

Systemtic Name: 5-methoxy-2-[3-[[2-(methylsulfonylamino)-3-quinolin-8-ylsulfanyl-propanoyl]amino]-2-oxidanyl-4-phenyl-butyl]cyclohexane-1-carboxylic acid Openeye Name: 2-[2-hydroxy-3-[[2-(methanesulfonamido)-3-(8-quinolylsulfanyl)propanoyl]amino]-4-phenyl-butyl]-5-methoxy-cyclohexanecarboxylic acid CAS Name: 2-[2-hydroxy-3-[[2-(methanesulfonamido)-1-oxo-3-(8-quinolinylthio)propyl]amino]-4-phenylbutyl]-5-methoxy-1-cyclohexanecarboxylic acid IUPAC Name: 2-[2-hydroxy-3-[[2-(methanesulfonamido)-3-quinolin-8-ylsulfanylpropanoyl]amino]-4-phenylbutyl]-5-methoxycyclohexane-1-carboxylic acid Traditional Name: 2-[2-hydroxy-3-[[2-(methanesulfonamido)-3-(8-quinolylthio)propanoyl]amino]-4-phenyl-butyl]-5-methoxy-cyclohexanecarboxylic acid Formula: C31H39N3O7S2 MolecularWeight: 629.78726

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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=CC=CC4=C3N=CC=C4)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=C3N=CC=C4)NS(=O)(=O)C)O

InChI

InChI=1S/C31H39N3O7S2/c1-41-23-14-13-22(24(18-23)31(37)38)17-27(35)25(16-20-8-4-3-5-9-20)33-30(36)26(34-43(2,39)40)19-42-28-12-6-10-21-11-7-15-32-29(21)28/h3-12,15,22-27,34-35H,13-14,16-19H2,1-2H3,(H,33,36)(H,37,38)