(3S)-3-[(5-ethyl-3-naphthalen-2-yl-4H-1,2-oxazol-5-yl)carbonylamino]-4-oxidanylidene-5-[2,3,5,6-tetrakis(fluoranyl)phenoxy]pentanoic acid

Systemtic Name: (3S)-3-[(5-ethyl-3-naphthalen-2-yl-4H-1,2-oxazol-5-yl)carbonylamino]-4-oxidanylidene-5-[2,3,5,6-tetrakis(fluoranyl)phenoxy]pentanoic acid Openeye Name: (3S)-3-[[5-ethyl-3-(2-naphthyl)-4H-isoxazole-5-carbonyl]amino]-4-oxo-5-(2,3,5,6-tetrafluorophenoxy)pentanoic acid CAS Name: (3S)-3-[[[5-ethyl-3-(2-naphthalenyl)-4H-isoxazol-5-yl]-oxomethyl]amino]-4-oxo-5-(2,3,5,6-tetrafluorophenoxy)pentanoic acid IUPAC Name: (3S)-3-[(5-ethyl-3-naphthalen-2-yl-4H-1,2-oxazole-5-carbonyl)amino]-4-oxo-5-(2,3,5,6-tetrafluorophenoxy)pentanoic acid Traditional Name: (3S)-3-[[5-ethyl-3-(2-naphthyl)-2-isoxazoline-5-carbonyl]amino]-4-keto-5-(2,3,5,6-tetrafluorophenoxy)valeric acid Formula: C27H22F4N2O6 MolecularWeight: 546.466993

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Descriptors Computed from Structure

Canonical SMILES:

CCC1(CC(=NO1)C2=CC3=CC=CC=C3C=C2)C(=O)NC(CC(=O)O)C(=O)COC4=C(C(=CC(=C4F)F)F)F

Isomeric SMILES

CCC1(CC(=NO1)C2=CC3=CC=CC=C3C=C2)C(=O)N[C@@H](CC(=O)O)C(=O)COC4=C(C(=CC(=C4F)F)F)F

InChI

InChI=1S/C27H22F4N2O6/c1-2-27(12-20(33-39-27)16-8-7-14-5-3-4-6-15(14)9-16)26(37)32-19(11-22(35)36)21(34)13-38-25-23(30)17(28)10-18(29)24(25)31/h3-10,19H,2,11-13H2,1H3,(H,32,37)(H,35,36)/t19-,27?/m0/s1