3-[[2-azanyl-3,3-dimethyl-5-naphthalen-1-yloxy-4-oxidanylidene-5-(trifluoromethylsulfonylamino)pentanoyl]amino]-4-oxidanylidene-butanoic acid

Systemtic Name: 3-[[2-azanyl-3,3-dimethyl-5-naphthalen-1-yloxy-4-oxidanylidene-5-(trifluoromethylsulfonylamino)pentanoyl]amino]-4-oxidanylidene-butanoic acid Openeye Name: 3-[[2-amino-3,3-dimethyl-5-(1-naphthyloxy)-4-oxo-5-(trifluoromethylsulfonylamino)pentanoyl]amino]-4-oxo-butanoic acid CAS Name: 3-[[2-amino-3,3-dimethyl-5-(1-naphthalenyloxy)-1,4-dioxo-5-(trifluoromethylsulfonylamino)pentyl]amino]-4-oxobutanoic acid IUPAC Name: 3-[[2-amino-3,3-dimethyl-5-naphthalen-1-yloxy-4-oxo-5-(trifluoromethylsulfonylamino)pentanoyl]amino]-4-oxobutanoic acid Traditional Name: 3-[[2-amino-4-keto-3,3-dimethyl-5-(1-naphthoxy)-5-(triflylamino)pentanoyl]amino]-4-keto-butyric acid Formula: C22H24F3N3O8S MolecularWeight: 547.50147

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(C(=O)NC(CC(=O)O)C=O)N)C(=O)C(NS(=O)(=O)C(F)(F)F)OC1=CC=CC2=CC=CC=C21

Isomeric SMILES

CC(C)(C(C(=O)NC(CC(=O)O)C=O)N)C(=O)C(NS(=O)(=O)C(F)(F)F)OC1=CC=CC2=CC=CC=C21

InChI

InChI=1S/C22H24F3N3O8S/c1-21(2,17(26)19(33)27-13(11-29)10-16(30)31)18(32)20(28-37(34,35)22(23,24)25)36-15-9-5-7-12-6-3-4-8-14(12)15/h3-9,11,13,17,20,28H,10,26H2,1-2H3,(H,27,33)(H,30,31)