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

Systemtic Name: [N'-[(2R,3R,4S)-3-acetamido-6-carboxy-2-[nonyl(propyl)carbamoyl]-3,4-dihydro-2H-pyran-4-yl]carbamimidoyl]azanium; 2,2,2-tris(fluoranyl)ethanoate Openeye Name: [N'-[(2R,3R,4S)-3-acetamido-6-carboxy-2-[nonyl(propyl)carbamoyl]-3,4-dihydro-2H-pyran-4-yl]carbamimidoyl]ammonium; 2,2,2-trifluoroacetate CAS Name: [[(2R,3R,4S)-3-acetamido-6-carboxy-2-[[nonyl(propyl)amino]-oxomethyl]-3,4-dihydro-2H-pyran-4-yl]imino-aminomethyl]ammonium; 2,2,2-trifluoroacetate IUPAC Name: [N'-[(2R,3R,4S)-3-acetamido-6-carboxy-2-[nonyl(propyl)carbamoyl]-3,4-dihydro-2H-pyran-4-yl]carbamimidoyl]azanium; 2,2,2-trifluoroacetate Traditional Name: [N'-[(2R,3R,4S)-3-acetamido-6-carboxy-2-[nonyl(propyl)carbamoyl]-3,4-dihydro-2H-pyran-4-yl]amidino]ammonium; 2,2,2-trifluoroacetate Formula: C24H40F3N5O7 MolecularWeight: 567.59891

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCN(CCC)C(=O)C1C(C(C=C(O1)C(=O)O)N=C([NH3+])N)NC(=O)C.C(=O)(C(F)(F)F)[O-]

Isomeric SMILES

CCCCCCCCCN(CCC)C(=O)[C@H]1[C@@H]([C@H](C=C(O1)C(=O)O)N=C([NH3+])N)NC(=O)C.C(=O)(C(F)(F)F)[O-]

InChI

InChI=1S/C22H39N5O5.C2HF3O2/c1-4-6-7-8-9-10-11-13-27(12-5-2)20(29)19-18(25-15(3)28)16(26-22(23)24)14-17(32-19)21(30)31;3-2(4,5)1(6)7/h14,16,18-19H,4-13H2,1-3H3,(H,25,28)(H,30,31)(H4,23,24,26);(H,6,7)/t16-,18+,19+;/m0./s1