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

Systemtic Name: 3-[[5-methyl-1-(naphthalen-1-ylamino)-1,2-bis(oxidanylidene)hexan-3-yl]amino]-4-oxidanylidene-5-[2,3,5,6-tetrakis(fluoranyl)phenoxy]pentanoic acid Openeye Name: 3-[[3-methyl-1-[2-(1-naphthylamino)-2-oxo-acetyl]butyl]amino]-4-oxo-5-(2,3,5,6-tetrafluorophenoxy)pentanoic acid CAS Name: 3-[[5-methyl-1-(1-naphthalenylamino)-1,2-dioxohexan-3-yl]amino]-4-oxo-5-(2,3,5,6-tetrafluorophenoxy)pentanoic acid IUPAC Name: 3-[[5-methyl-1-(naphthalen-1-ylamino)-1,2-dioxohexan-3-yl]amino]-4-oxo-5-(2,3,5,6-tetrafluorophenoxy)pentanoic acid Traditional Name: 4-keto-3-[[1-[2-keto-2-(1-naphthylamino)acetyl]-3-methyl-butyl]amino]-5-(2,3,5,6-tetrafluorophenoxy)valeric acid Formula: C28H26F4N2O6 MolecularWeight: 562.509453

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)C(=O)NC1=CC=CC2=CC=CC=C21)NC(CC(=O)O)C(=O)COC3=C(C(=CC(=C3F)F)F)F

Isomeric SMILES

CC(C)CC(C(=O)C(=O)NC1=CC=CC2=CC=CC=C21)NC(CC(=O)O)C(=O)COC3=C(C(=CC(=C3F)F)F)F

InChI

InChI=1S/C28H26F4N2O6/c1-14(2)10-21(26(38)28(39)34-19-9-5-7-15-6-3-4-8-16(15)19)33-20(12-23(36)37)22(35)13-40-27-24(31)17(29)11-18(30)25(27)32/h3-9,11,14,20-21,33H,10,12-13H2,1-2H3,(H,34,39)(H,36,37)