[(2R,3R,4S,5R,6R)-2-[(2S)-3-[[6-(6-azanylhexylamino)-6-oxidanylidene-hexyl]amino]-2-(hexanoylamino)-3-oxidanylidene-propoxy]-3-(4-fluorophenyl)carbonyloxy-6-(hydroxymethyl)-5-oxidanyl-oxan-4-yl] 4-fluoranylbenzoate

Systemtic Name: [(2R,3R,4S,5R,6R)-2-[(2S)-3-[[6-(6-azanylhexylamino)-6-oxidanylidene-hexyl]amino]-2-(hexanoylamino)-3-oxidanylidene-propoxy]-3-(4-fluorophenyl)carbonyloxy-6-(hydroxymethyl)-5-oxidanyl-oxan-4-yl] 4-fluoranylbenzoate Openeye Name: [(2R,3R,4S,5R,6R)-2-[(2S)-3-[[6-(6-aminohexylamino)-6-oxo-hexyl]amino]-2-(hexanoylamino)-3-oxo-propoxy]-3-(4-fluorobenzoyl)oxy-5-hydroxy-6-(hydroxymethyl)tetrahydropyran-4-yl] 4-fluorobenzoate CAS Name: 4-fluorobenzoic acid [(2R,3R,4S,5R,6R)-2-[(2S)-3-[[6-(6-aminohexylamino)-6-oxohexyl]amino]-3-oxo-2-(1-oxohexylamino)propoxy]-3-[(4-fluorophenyl)-oxomethoxy]-5-hydroxy-6-(hydroxymethyl)-4-oxanyl] ester IUPAC Name: [(2R,3R,4S,5R,6R)-2-[(2S)-3-[[6-(6-aminohexylamino)-6-oxohexyl]amino]-2-(hexanoylamino)-3-oxopropoxy]-3-(4-fluorobenzoyl)oxy-5-hydroxy-6-(hydroxymethyl)oxan-4-yl] 4-fluorobenzoate Traditional Name: 4-fluorobenzoic acid [(2R,3R,4S,5R,6R)-2-[(2S)-3-[[6-(6-aminohexylamino)-6-keto-hexyl]amino]-2-(caproylamino)-3-keto-propoxy]-3-(4-fluorobenzoyl)oxy-5-hydroxy-6-methylol-tetrahydropyran-4-yl] ester Formula: C41H58F2N4O11 MolecularWeight: 820.916226

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)NC(COC1C(C(C(C(O1)CO)O)OC(=O)C2=CC=C(C=C2)F)OC(=O)C3=CC=C(C=C3)F)C(=O)NCCCCCC(=O)NCCCCCCN

Isomeric SMILES

CCCCCC(=O)N[C@@H](CO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)OC(=O)C2=CC=C(C=C2)F)OC(=O)C3=CC=C(C=C3)F)C(=O)NCCCCCC(=O)NCCCCCCN

InChI

InChI=1S/C41H58F2N4O11/c1-2-3-7-13-34(50)47-31(38(52)46-24-11-6-8-12-33(49)45-23-10-5-4-9-22-44)26-55-41-37(58-40(54)28-16-20-30(43)21-17-28)36(35(51)32(25-48)56-41)57-39(53)27-14-18-29(42)19-15-27/h14-21,31-32,35-37,41,48,51H,2-13,22-26,44H2,1H3,(H,45,49)(H,46,52)(H,47,50)/t31-,32+,35+,36-,37+,41+/m0/s1