3-[[1-[(2-tert-butylphenyl)amino]-5-methyl-1,2-bis(oxidanylidene)hexan-3-yl]amino]-4-oxidanylidene-5-[2,3,5,6-tetrakis(fluoranyl)phenoxy]pentanoic acid

Systemtic Name: 3-[[1-[(2-tert-butylphenyl)amino]-5-methyl-1,2-bis(oxidanylidene)hexan-3-yl]amino]-4-oxidanylidene-5-[2,3,5,6-tetrakis(fluoranyl)phenoxy]pentanoic acid Openeye Name: 3-[[1-[2-(2-tert-butylanilino)-2-oxo-acetyl]-3-methyl-butyl]amino]-4-oxo-5-(2,3,5,6-tetrafluorophenoxy)pentanoic acid CAS Name: 3-[[1-(2-tert-butylanilino)-5-methyl-1,2-dioxohexan-3-yl]amino]-4-oxo-5-(2,3,5,6-tetrafluorophenoxy)pentanoic acid IUPAC Name: 3-[[1-(2-tert-butylanilino)-5-methyl-1,2-dioxohexan-3-yl]amino]-4-oxo-5-(2,3,5,6-tetrafluorophenoxy)pentanoic acid Traditional Name: 3-[[1-[2-(2-tert-butylanilino)-2-keto-acetyl]-3-methyl-butyl]amino]-4-keto-5-(2,3,5,6-tetrafluorophenoxy)valeric acid Formula: C28H32F4N2O6 MolecularWeight: 568.557093

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)C(=O)NC1=CC=CC=C1C(C)(C)C)NC(CC(=O)O)C(=O)COC2=C(C(=CC(=C2F)F)F)F

Isomeric SMILES

CC(C)CC(C(=O)C(=O)NC1=CC=CC=C1C(C)(C)C)NC(CC(=O)O)C(=O)COC2=C(C(=CC(=C2F)F)F)F

InChI

InChI=1S/C28H32F4N2O6/c1-14(2)10-20(25(38)27(39)34-18-9-7-6-8-15(18)28(3,4)5)33-19(12-22(36)37)21(35)13-40-26-23(31)16(29)11-17(30)24(26)32/h6-9,11,14,19-20,33H,10,12-13H2,1-5H3,(H,34,39)(H,36,37)