3-[[1-[(2-bromophenyl)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-bromophenyl)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-bromoanilino)-2-oxo-acetyl]-3-methyl-butyl]amino]-4-oxo-5-(2,3,5,6-tetrafluorophenoxy)pentanoic acid CAS Name: 3-[[1-(2-bromoanilino)-5-methyl-1,2-dioxohexan-3-yl]amino]-4-oxo-5-(2,3,5,6-tetrafluorophenoxy)pentanoic acid IUPAC Name: 3-[[1-(2-bromoanilino)-5-methyl-1,2-dioxohexan-3-yl]amino]-4-oxo-5-(2,3,5,6-tetrafluorophenoxy)pentanoic acid Traditional Name: 3-[[1-[2-(2-bromoanilino)-2-keto-acetyl]-3-methyl-butyl]amino]-4-keto-5-(2,3,5,6-tetrafluorophenoxy)valeric acid Formula: C24H23BrF4N2O6 MolecularWeight: 591.346833

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)C(=O)NC1=CC=CC=C1Br)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=C1Br)NC(CC(=O)O)C(=O)COC2=C(C(=CC(=C2F)F)F)F

InChI

InChI=1S/C24H23BrF4N2O6/c1-11(2)7-17(22(35)24(36)31-15-6-4-3-5-12(15)25)30-16(9-19(33)34)18(32)10-37-23-20(28)13(26)8-14(27)21(23)29/h3-6,8,11,16-17,30H,7,9-10H2,1-2H3,(H,31,36)(H,33,34)