[(2R,3R,4S)-3-acetamido-6-carboxy-2-[2-(4-hydroxyphenyl)ethyl-propyl-carbamoyl]-3,4-dihydro-2H-pyran-4-yl]azanium; 2,2,2-tris(fluoranyl)ethanoate

Systemtic Name: [(2R,3R,4S)-3-acetamido-6-carboxy-2-[2-(4-hydroxyphenyl)ethyl-propyl-carbamoyl]-3,4-dihydro-2H-pyran-4-yl]azanium; 2,2,2-tris(fluoranyl)ethanoate Openeye Name: [(2R,3R,4S)-3-acetamido-6-carboxy-2-[2-(4-hydroxyphenyl)ethyl-propyl-carbamoyl]-3,4-dihydro-2H-pyran-4-yl]ammonium; 2,2,2-trifluoroacetate CAS Name: [(2R,3R,4S)-3-acetamido-6-carboxy-2-[[2-(4-hydroxyphenyl)ethyl-propylamino]-oxomethyl]-3,4-dihydro-2H-pyran-4-yl]ammonium; 2,2,2-trifluoroacetate IUPAC Name: [(2R,3R,4S)-3-acetamido-6-carboxy-2-[2-(4-hydroxyphenyl)ethyl-propylcarbamoyl]-3,4-dihydro-2H-pyran-4-yl]azanium; 2,2,2-trifluoroacetate Traditional Name: [(2R,3R,4S)-3-acetamido-6-carboxy-2-[2-(4-hydroxyphenyl)ethyl-propyl-carbamoyl]-3,4-dihydro-2H-pyran-4-yl]ammonium; 2,2,2-trifluoroacetate Formula: C22H28F3N3O8 MolecularWeight: 519.46823

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(CCC1=CC=C(C=C1)O)C(=O)C2C(C(C=C(O2)C(=O)O)[NH3+])NC(=O)C.C(=O)(C(F)(F)F)[O-]

Isomeric SMILES

CCCN(CCC1=CC=C(C=C1)O)C(=O)[C@H]2[C@@H]([C@H](C=C(O2)C(=O)O)[NH3+])NC(=O)C.C(=O)(C(F)(F)F)[O-]

InChI

InChI=1S/C20H27N3O6.C2HF3O2/c1-3-9-23(10-8-13-4-6-14(25)7-5-13)19(26)18-17(22-12(2)24)15(21)11-16(29-18)20(27)28;3-2(4,5)1(6)7/h4-7,11,15,17-18,25H,3,8-10,21H2,1-2H3,(H,22,24)(H,27,28);(H,6,7)/t15-,17+,18+;/m0./s1