2-[[4-[bis(2-methylsulfonyloxyethyl)amino]-3-fluoranyl-phenyl]carbonyl-tert-butyl-amino]-2-tert-butyl-pentanedioic acid

Systemtic Name: 2-[[4-[bis(2-methylsulfonyloxyethyl)amino]-3-fluoranyl-phenyl]carbonyl-tert-butyl-amino]-2-tert-butyl-pentanedioic acid Openeye Name: 2-[[4-[bis(2-methylsulfonyloxyethyl)amino]-3-fluoro-benzoyl]-tert-butyl-amino]-2-tert-butyl-pentanedioic acid CAS Name: 2-[[[4-[bis(2-methylsulfonyloxyethyl)amino]-3-fluorophenyl]-oxomethyl]-tert-butylamino]-2-tert-butylpentanedioic acid IUPAC Name: 2-[[4-[bis(2-methylsulfonyloxyethyl)amino]-3-fluorobenzoyl]-tert-butylamino]-2-tert-butylpentanedioic acid Traditional Name: 2-[[4-[bis(2-methylsulfonyloxyethyl)amino]-3-fluoro-benzoyl]-tert-butyl-amino]-2-tert-butyl-glutaric acid Formula: C26H41FN2O11S2 MolecularWeight: 640.738943

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(CCC(=O)O)(C(=O)O)N(C(=O)C1=CC(=C(C=C1)N(CCOS(=O)(=O)C)CCOS(=O)(=O)C)F)C(C)(C)C

Isomeric SMILES

CC(C)(C)C(CCC(=O)O)(C(=O)O)N(C(=O)C1=CC(=C(C=C1)N(CCOS(=O)(=O)C)CCOS(=O)(=O)C)F)C(C)(C)C

InChI

InChI=1S/C26H41FN2O11S2/c1-24(2,3)26(23(33)34,12-11-21(30)31)29(25(4,5)6)22(32)18-9-10-20(19(27)17-18)28(13-15-39-41(7,35)36)14-16-40-42(8,37)38/h9-10,17H,11-16H2,1-8H3,(H,30,31)(H,33,34)