4-[6-oxidanylidene-1-[2-oxidanylidene-2-[[1,1,1-tris(fluoranyl)-4-methyl-2-oxidanylidene-pentan-3-yl]amino]ethyl]-5-(phenylmethoxycarbonylamino)pyridin-2-yl]benzoic acid

Systemtic Name: 4-[6-oxidanylidene-1-[2-oxidanylidene-2-[[1,1,1-tris(fluoranyl)-4-methyl-2-oxidanylidene-pentan-3-yl]amino]ethyl]-5-(phenylmethoxycarbonylamino)pyridin-2-yl]benzoic acid Openeye Name: 4-[5-(benzyloxycarbonylamino)-6-oxo-1-[2-oxo-2-[(3,3,3-trifluoro-1-isopropyl-2-oxo-propyl)amino]ethyl]-2-pyridyl]benzoic acid CAS Name: 4-[6-oxo-1-[2-oxo-2-[(1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl)amino]ethyl]-5-(phenylmethoxycarbonylamino)-2-pyridinyl]benzoic acid IUPAC Name: 4-[6-oxo-1-[2-oxo-2-[(1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl)amino]ethyl]-5-(phenylmethoxycarbonylamino)pyridin-2-yl]benzoic acid Traditional Name: 4-[5-(benzyloxycarbonylamino)-6-keto-1-[2-keto-2-[(3,3,3-trifluoro-1-isopropyl-2-keto-propyl)amino]ethyl]-2-pyridyl]benzoic acid Formula: C28H26F3N3O7 MolecularWeight: 573.51715

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)C(F)(F)F)NC(=O)CN1C(=CC=C(C1=O)NC(=O)OCC2=CC=CC=C2)C3=CC=C(C=C3)C(=O)O

Isomeric SMILES

CC(C)C(C(=O)C(F)(F)F)NC(=O)CN1C(=CC=C(C1=O)NC(=O)OCC2=CC=CC=C2)C3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C28H26F3N3O7/c1-16(2)23(24(36)28(29,30)31)33-22(35)14-34-21(18-8-10-19(11-9-18)26(38)39)13-12-20(25(34)37)32-27(40)41-15-17-6-4-3-5-7-17/h3-13,16,23H,14-15H2,1-2H3,(H,32,40)(H,33,35)(H,38,39)