N-[1-[[1-[3,5-bis(fluoranyl)phenyl]-5-methyl-6-(2-methylpropylamino)-3,4-bis(oxidanyl)-6-oxidanylidene-hexan-2-yl]amino]-3-heptan-4-ylsulfonyl-1-oxidanylidene-propan-2-yl]pyridine-3-carboxamide

Systemtic Name: N-[1-[[1-[3,5-bis(fluoranyl)phenyl]-5-methyl-6-(2-methylpropylamino)-3,4-bis(oxidanyl)-6-oxidanylidene-hexan-2-yl]amino]-3-heptan-4-ylsulfonyl-1-oxidanylidene-propan-2-yl]pyridine-3-carboxamide Openeye Name: N-[2-[[1-[(3,5-difluorophenyl)methyl]-2,3-dihydroxy-5-(isobutylamino)-4-methyl-5-oxo-pentyl]amino]-2-oxo-1-(1-propylbutylsulfonylmethyl)ethyl]pyridine-3-carboxamide CAS Name: N-[1-[[1-(3,5-difluorophenyl)-3,4-dihydroxy-5-methyl-6-(2-methylpropylamino)-6-oxohexan-2-yl]amino]-3-heptan-4-ylsulfonyl-1-oxopropan-2-yl]-3-pyridinecarboxamide IUPAC Name: N-[1-[[1-(3,5-difluorophenyl)-3,4-dihydroxy-5-methyl-6-(2-methylpropylamino)-6-oxohexan-2-yl]amino]-3-heptan-4-ylsulfonyl-1-oxopropan-2-yl]pyridine-3-carboxamide Traditional Name: N-[2-[[1-(3,5-difluorobenzyl)-2,3-dihydroxy-5-(isobutylamino)-5-keto-4-methyl-pentyl]amino]-2-keto-1-(1-propylbutylsulfonylmethyl)ethyl]nicotinamide Formula: C33H48F2N4O7S MolecularWeight: 682.818626

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(CCC)S(=O)(=O)CC(C(=O)NC(CC1=CC(=CC(=C1)F)F)C(C(C(C)C(=O)NCC(C)C)O)O)NC(=O)C2=CN=CC=C2

Isomeric SMILES

CCCC(CCC)S(=O)(=O)CC(C(=O)NC(CC1=CC(=CC(=C1)F)F)C(C(C(C)C(=O)NCC(C)C)O)O)NC(=O)C2=CN=CC=C2

InChI

InChI=1S/C33H48F2N4O7S/c1-6-9-26(10-7-2)47(45,46)19-28(39-32(43)23-11-8-12-36-18-23)33(44)38-27(15-22-13-24(34)16-25(35)14-22)30(41)29(40)21(5)31(42)37-17-20(3)4/h8,11-14,16,18,20-21,26-30,40-41H,6-7,9-10,15,17,19H2,1-5H3,(H,37,42)(H,38,44)(H,39,43)