tert-butyl N-[(2S)-1-[[(5S)-5-[(4-methylphenyl)sulfonyl-(2-methylpropyl)amino]-6-oxidanyl-hexyl]amino]-1-oxidanylidene-3-[2,3,4,5,6-pentakis(fluoranyl)phenyl]propan-2-yl]carbamate

Systemtic Name: tert-butyl N-[(2S)-1-[[(5S)-5-[(4-methylphenyl)sulfonyl-(2-methylpropyl)amino]-6-oxidanyl-hexyl]amino]-1-oxidanylidene-3-[2,3,4,5,6-pentakis(fluoranyl)phenyl]propan-2-yl]carbamate Openeye Name: tert-butyl N-[(1S)-2-[[(5S)-6-hydroxy-5-[isobutyl(p-tolylsulfonyl)amino]hexyl]amino]-2-oxo-1-[(2,3,4,5,6-pentafluorophenyl)methyl]ethyl]carbamate CAS Name: N-[(2S)-1-[[(5S)-6-hydroxy-5-[(4-methylphenyl)sulfonyl-(2-methylpropyl)amino]hexyl]amino]-1-oxo-3-(2,3,4,5,6-pentafluorophenyl)propan-2-yl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[(2S)-1-[[(5S)-6-hydroxy-5-[(4-methylphenyl)sulfonyl-(2-methylpropyl)amino]hexyl]amino]-1-oxo-3-(2,3,4,5,6-pentafluorophenyl)propan-2-yl]carbamate Traditional Name: N-[(1S)-2-[[(5S)-6-hydroxy-5-[isobutyl(tosyl)amino]hexyl]amino]-2-keto-1-(2,3,4,5,6-pentafluorobenzyl)ethyl]carbamic acid tert-butyl ester Formula: C31H42F5N3O6S MolecularWeight: 679.738696

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N(CC(C)C)C(CCCCNC(=O)C(CC2=C(C(=C(C(=C2F)F)F)F)F)NC(=O)OC(C)(C)C)CO

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N(CC(C)C)[C@@H](CCCCNC(=O)[C@H](CC2=C(C(=C(C(=C2F)F)F)F)F)NC(=O)OC(C)(C)C)CO

InChI

InChI=1S/C31H42F5N3O6S/c1-18(2)16-39(46(43,44)21-12-10-19(3)11-13-21)20(17-40)9-7-8-14-37-29(41)23(38-30(42)45-31(4,5)6)15-22-24(32)26(34)28(36)27(35)25(22)33/h10-13,18,20,23,40H,7-9,14-17H2,1-6H3,(H,37,41)(H,38,42)/t20-,23-/m0/s1