N-(tert-butylcarbamoyl)-N-[1-(4-fluorophenyl)-4-(3-methylbutylamino)-3-oxidanyl-butan-2-yl]-2-methyl-3-methylsulfonyl-propanamide

Systemtic Name: N-(tert-butylcarbamoyl)-N-[1-(4-fluorophenyl)-4-(3-methylbutylamino)-3-oxidanyl-butan-2-yl]-2-methyl-3-methylsulfonyl-propanamide Openeye Name: N-(tert-butylcarbamoyl)-N-[1-[(4-fluorophenyl)methyl]-2-hydroxy-3-(isopentylamino)propyl]-2-methyl-3-methylsulfonyl-propanamide CAS Name: N-[(tert-butylamino)-oxomethyl]-N-[1-(4-fluorophenyl)-3-hydroxy-4-(3-methylbutylamino)butan-2-yl]-2-methyl-3-methylsulfonylpropanamide IUPAC Name: N-(tert-butylcarbamoyl)-N-[1-(4-fluorophenyl)-3-hydroxy-4-(3-methylbutylamino)butan-2-yl]-2-methyl-3-methylsulfonylpropanamide Traditional Name: N-(tert-butylcarbamoyl)-N-[1-(4-fluorobenzyl)-2-hydroxy-3-(isoamylamino)propyl]-3-mesyl-2-methyl-propionamide Formula: C25H42FN3O5S MolecularWeight: 515.681483

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCNCC(C(CC1=CC=C(C=C1)F)N(C(=O)C(C)CS(=O)(=O)C)C(=O)NC(C)(C)C)O

Isomeric SMILES

CC(C)CCNCC(C(CC1=CC=C(C=C1)F)N(C(=O)C(C)CS(=O)(=O)C)C(=O)NC(C)(C)C)O

InChI

InChI=1S/C25H42FN3O5S/c1-17(2)12-13-27-15-22(30)21(14-19-8-10-20(26)11-9-19)29(24(32)28-25(4,5)6)23(31)18(3)16-35(7,33)34/h8-11,17-18,21-22,27,30H,12-16H2,1-7H3,(H,28,32)