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

Systemtic Name: 2-[3-[[3-(4-fluorophenyl)sulfonyl-2-(methylsulfonylamino)propanoyl]amino]-2-oxidanyl-4-phenyl-butyl]-4-methoxy-cyclohexane-1-carboxylic acid Openeye Name: 2-[3-[[3-(4-fluorophenyl)sulfonyl-2-(methanesulfonamido)propanoyl]amino]-2-hydroxy-4-phenyl-butyl]-4-methoxy-cyclohexanecarboxylic acid CAS Name: 2-[3-[[3-(4-fluorophenyl)sulfonyl-2-(methanesulfonamido)-1-oxopropyl]amino]-2-hydroxy-4-phenylbutyl]-4-methoxy-1-cyclohexanecarboxylic acid IUPAC Name: 2-[3-[[3-(4-fluorophenyl)sulfonyl-2-(methanesulfonamido)propanoyl]amino]-2-hydroxy-4-phenylbutyl]-4-methoxycyclohexane-1-carboxylic acid Traditional Name: 2-[3-[[3-(4-fluorophenyl)sulfonyl-2-(methanesulfonamido)propanoyl]amino]-2-hydroxy-4-phenyl-butyl]-4-methoxy-cyclohexanecarboxylic acid Formula: C28H37FN2O9S2 MolecularWeight: 628.729783

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H37FN2O9S2/c1-40-21-10-13-23(28(34)35)19(15-21)16-26(32)24(14-18-6-4-3-5-7-18)30-27(33)25(31-41(2,36)37)17-42(38,39)22-11-8-20(29)9-12-22/h3-9,11-12,19,21,23-26,31-32H,10,13-17H2,1-2H3,(H,30,33)(H,34,35)