(2S)-2-[2,2,2-tris(fluoranyl)ethanoylamino]-2-[3-[2,2,2-tris(fluoranyl)ethanoyloxy]-1-adamantyl]ethanoic acid

Systemtic Name: (2S)-2-[2,2,2-tris(fluoranyl)ethanoylamino]-2-[3-[2,2,2-tris(fluoranyl)ethanoyloxy]-1-adamantyl]ethanoic acid Openeye Name: (2S)-2-[(2,2,2-trifluoroacetyl)amino]-2-[3-(2,2,2-trifluoroacetyl)oxy-1-adamantyl]acetic acid CAS Name: (2S)-2-[3-(2,2,2-trifluoro-1-oxoethoxy)-1-adamantyl]-2-[(2,2,2-trifluoro-1-oxoethyl)amino]acetic acid IUPAC Name: (2S)-2-[(2,2,2-trifluoroacetyl)amino]-2-[3-(2,2,2-trifluoroacetyl)oxy-1-adamantyl]acetic acid Traditional Name: (2S)-2-[(2,2,2-trifluoroacetyl)amino]-2-[3-(2,2,2-trifluoroacetyl)oxy-1-adamantyl]acetic acid Formula: C16H17F6NO5 MolecularWeight: 417.300299

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3(CC1CC(C2)(C3)OC(=O)C(F)(F)F)C(C(=O)O)NC(=O)C(F)(F)F

Isomeric SMILES

C1C2CC3(CC1CC(C2)(C3)OC(=O)C(F)(F)F)[C@@H](C(=O)O)NC(=O)C(F)(F)F

InChI

InChI=1S/C16H17F6NO5/c17-15(18,19)11(26)23-9(10(24)25)13-2-7-1-8(3-13)5-14(4-7,6-13)28-12(27)16(20,21)22/h7-9H,1-6H2,(H,23,26)(H,24,25)/t7?,8?,9-,13?,14?/m1/s1