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

Systemtic Name: tert-butyl N-[(2S)-3-(3-fluorophenyl)-1-[[(5S)-5-[(4-methylphenyl)sulfonyl-(2-methylpropyl)amino]-6-oxidanyl-hexyl]amino]-1-oxidanylidene-propan-2-yl]carbamate Openeye Name: tert-butyl N-[(1S)-1-[(3-fluorophenyl)methyl]-2-[[(5S)-6-hydroxy-5-[isobutyl(p-tolylsulfonyl)amino]hexyl]amino]-2-oxo-ethyl]carbamate CAS Name: N-[(2S)-3-(3-fluorophenyl)-1-[[(5S)-6-hydroxy-5-[(4-methylphenyl)sulfonyl-(2-methylpropyl)amino]hexyl]amino]-1-oxopropan-2-yl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[(2S)-3-(3-fluorophenyl)-1-[[(5S)-6-hydroxy-5-[(4-methylphenyl)sulfonyl-(2-methylpropyl)amino]hexyl]amino]-1-oxopropan-2-yl]carbamate Traditional Name: N-[(1S)-1-(3-fluorobenzyl)-2-[[(5S)-6-hydroxy-5-[isobutyl(tosyl)amino]hexyl]amino]-2-keto-ethyl]carbamic acid tert-butyl ester Formula: C31H46FN3O6S MolecularWeight: 607.776843

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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=CC(=CC=C2)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=CC(=CC=C2)F)NC(=O)OC(C)(C)C)CO

InChI

InChI=1S/C31H46FN3O6S/c1-22(2)20-35(42(39,40)27-15-13-23(3)14-16-27)26(21-36)12-7-8-17-33-29(37)28(34-30(38)41-31(4,5)6)19-24-10-9-11-25(32)18-24/h9-11,13-16,18,22,26,28,36H,7-8,12,17,19-21H2,1-6H3,(H,33,37)(H,34,38)/t26-,28-/m0/s1