[(2R,3R,4S)-3-acetamido-6-carboxy-2-[2-[4-(phenylmethyl)phenyl]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-(phenylmethyl)phenyl]ethyl-propyl-carbamoyl]-3,4-dihydro-2H-pyran-4-yl]azanium; 2,2,2-tris(fluoranyl)ethanoate Openeye Name: [(2R,3R,4S)-3-acetamido-2-[2-(4-benzylphenyl)ethyl-propyl-carbamoyl]-6-carboxy-3,4-dihydro-2H-pyran-4-yl]ammonium; 2,2,2-trifluoroacetate CAS Name: [(2R,3R,4S)-3-acetamido-6-carboxy-2-[oxo-[2-[4-(phenylmethyl)phenyl]ethyl-propylamino]methyl]-3,4-dihydro-2H-pyran-4-yl]ammonium; 2,2,2-trifluoroacetate IUPAC Name: [(2R,3R,4S)-3-acetamido-2-[2-(4-benzylphenyl)ethyl-propylcarbamoyl]-6-carboxy-3,4-dihydro-2H-pyran-4-yl]azanium; 2,2,2-trifluoroacetate Traditional Name: [(2R,3R,4S)-3-acetamido-2-[2-(4-benzylphenyl)ethyl-propyl-carbamoyl]-6-carboxy-3,4-dihydro-2H-pyran-4-yl]ammonium; 2,2,2-trifluoroacetate Formula: C29H34F3N3O7 MolecularWeight: 593.59137

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(CCC1=CC=C(C=C1)CC2=CC=CC=C2)C(=O)C3C(C(C=C(O3)C(=O)O)[NH3+])NC(=O)C.C(=O)(C(F)(F)F)[O-]

Isomeric SMILES

CCCN(CCC1=CC=C(C=C1)CC2=CC=CC=C2)C(=O)[C@H]3[C@@H]([C@H](C=C(O3)C(=O)O)[NH3+])NC(=O)C.C(=O)(C(F)(F)F)[O-]

InChI

InChI=1S/C27H33N3O5.C2HF3O2/c1-3-14-30(15-13-19-9-11-21(12-10-19)16-20-7-5-4-6-8-20)26(32)25-24(29-18(2)31)22(28)17-23(35-25)27(33)34;3-2(4,5)1(6)7/h4-12,17,22,24-25H,3,13-16,28H2,1-2H3,(H,29,31)(H,33,34);(H,6,7)/t22-,24+,25+;/m0./s1