[6-oxidanylidene-6-[[(2R,5S)-5-[2-oxidanylidene-4-[6-[(phenylmethyl)azaniumyl]hexanoylamino]pyrimidin-1-yl]-1,3-oxathiolan-2-yl]methoxy]hexyl]-(phenylmethyl)azanium; 2,2,2-tris(fluoranyl)ethanoate

Systemtic Name: [6-oxidanylidene-6-[[(2R,5S)-5-[2-oxidanylidene-4-[6-[(phenylmethyl)azaniumyl]hexanoylamino]pyrimidin-1-yl]-1,3-oxathiolan-2-yl]methoxy]hexyl]-(phenylmethyl)azanium; 2,2,2-tris(fluoranyl)ethanoate Openeye Name: benzyl-[6-[[(2R,5S)-5-[4-[6-(benzylammonio)hexanoylamino]-2-oxo-pyrimidin-1-yl]-1,3-oxathiolan-2-yl]methoxy]-6-oxo-hexyl]ammonium; 2,2,2-trifluoroacetate CAS Name: [6-oxo-6-[[2-oxo-1-[(2R,5S)-2-[[1-oxo-6-[(phenylmethyl)ammonio]hexoxy]methyl]-1,3-oxathiolan-5-yl]-4-pyrimidinyl]amino]hexyl]-(phenylmethyl)ammonium; 2,2,2-trifluoroacetate IUPAC Name: benzyl-[6-[[(2R,5S)-5-[4-[6-(benzylazaniumyl)hexanoylamino]-2-oxopyrimidin-1-yl]-1,3-oxathiolan-2-yl]methoxy]-6-oxohexyl]azanium; 2,2,2-trifluoroacetate Traditional Name: benzyl-[6-[[(2R,5S)-5-[4-[6-(benzylammonio)hexanoylamino]-2-keto-pyrimidin-1-yl]-1,3-oxathiolan-2-yl]methoxy]-6-keto-hexyl]ammonium; 2,2,2-trifluoroacetate Formula: C38H47F6N5O9S MolecularWeight: 863.863299

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Descriptors Computed from Structure

Canonical SMILES:

C1C(OC(S1)COC(=O)CCCCC[NH2+]CC2=CC=CC=C2)N3C=CC(=NC3=O)NC(=O)CCCCC[NH2+]CC4=CC=CC=C4.C(=O)(C(F)(F)F)[O-].C(=O)(C(F)(F)F)[O-]

Isomeric SMILES

C1[C@H](O[C@H](S1)COC(=O)CCCCC[NH2+]CC2=CC=CC=C2)N3C=CC(=NC3=O)NC(=O)CCCCC[NH2+]CC4=CC=CC=C4.C(=O)(C(F)(F)F)[O-].C(=O)(C(F)(F)F)[O-]

InChI

InChI=1S/C34H45N5O5S.2C2HF3O2/c40-30(17-9-3-11-20-35-23-27-13-5-1-6-14-27)37-29-19-22-39(34(42)38-29)31-26-45-33(44-31)25-43-32(41)18-10-4-12-21-36-24-28-15-7-2-8-16-28;2*3-2(4,5)1(6)7/h1-2,5-8,13-16,19,22,31,33,35-36H,3-4,9-12,17-18,20-21,23-26H2,(H,37,38,40,42);2*(H,6,7)/t31-,33+;;/m0../s1