2-[2-[2-[[5-[3-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenoxy]propyl]-1,2-oxazol-3-yl]carbonylamino]ethoxy]ethoxy]ethyl N-[6-[[(2R,3R,4R,5S,6R)-6-(hydroxymethyl)-5-[(2S,3R,4S,5S,6R)-6-(hydroxymethyl)-4-[(2S,3R,4S,5R,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-3,5-bis(oxidanyl)oxan-2-yl]oxy-3,4-bis(oxidanyl)oxan-2-yl]amino]-6-oxidanylidene-hexyl]carbamate

Systemtic Name: 2-[2-[2-[[5-[3-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenoxy]propyl]-1,2-oxazol-3-yl]carbonylamino]ethoxy]ethoxy]ethyl N-[6-[[(2R,3R,4R,5S,6R)-6-(hydroxymethyl)-5-[(2S,3R,4S,5S,6R)-6-(hydroxymethyl)-4-[(2S,3R,4S,5R,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-3,5-bis(oxidanyl)oxan-2-yl]oxy-3,4-bis(oxidanyl)oxan-2-yl]amino]-6-oxidanylidene-hexyl]carbamate Openeye Name: 2-[2-[2-[[5-[3-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenoxy]propyl]isoxazole-3-carbonyl]amino]ethoxy]ethoxy]ethyl N-[6-[[(2R,3R,4R,5S,6R)-5-[(2S,3R,4S,5S,6R)-3,5-dihydroxy-6-(hydroxymethyl)-4-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]amino]-6-oxo-hexyl]carbamate CAS Name: N-[6-[[(2R,3R,4R,5S,6R)-5-[[(2S,3R,4S,5S,6R)-3,5-dihydroxy-6-(hydroxymethyl)-4-[[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]-2-oxanyl]oxy]-3,4-dihydroxy-6-(hydroxymethyl)-2-oxanyl]amino]-6-oxohexyl]carbamic acid 2-[2-[2-[[[5-[3-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenoxy]propyl]-3-isoxazolyl]-oxomethyl]amino]ethoxy]ethoxy]ethyl ester IUPAC Name: 2-[2-[2-[[5-[3-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenoxy]propyl]-1,2-oxazole-3-carbonyl]amino]ethoxy]ethoxy]ethyl N-[6-[[(2R,3R,4R,5S,6R)-5-[(2S,3R,4S,5S,6R)-3,5-dihydroxy-6-(hydroxymethyl)-4-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]amino]-6-oxohexyl]carbamate Traditional Name: N-[6-[[(2R,3R,4R,5S,6R)-5-[(2S,3R,4S,5S,6R)-3,5-dihydroxy-6-methylol-4-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl]oxy-3,4-dihydroxy-6-methylol-tetrahydropyran-2-yl]amino]-6-keto-hexyl]carbamic acid 2-[2-[2-[[5-[3-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenoxy]propyl]isoxazole-3-carbonyl]amino]ethoxy]ethoxy]ethyl ester Formula: C47H70N6O24 MolecularWeight: 1103.0845

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NO1)C2=CC=C(C=C2)OCCCC3=CC(=NO3)C(=O)NCCOCCOCCOC(=O)NCCCCCC(=O)NC4C(C(C(C(O4)CO)OC5C(C(C(C(O5)CO)O)OC6C(C(C(C(O6)CO)O)O)O)O)O)O

Isomeric SMILES

CC1=NC(=NO1)C2=CC=C(C=C2)OCCCC3=CC(=NO3)C(=O)NCCOCCOCCOC(=O)NCCCCCC(=O)N[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O[C@H]5[C@@H]([C@H]([C@H]([C@H](O5)CO)O)O[C@H]6[C@@H]([C@H]([C@H]([C@H](O6)CO)O)O)O)O)O)O

InChI

InChI=1S/C47H70N6O24/c1-24-50-42(53-76-24)25-8-10-26(11-9-25)69-14-5-6-27-20-28(52-77-27)43(65)48-13-15-67-16-17-68-18-19-70-47(66)49-12-4-2-3-7-32(57)51-44-37(62)36(61)40(31(23-56)71-44)74-46-39(64)41(34(59)30(22-55)73-46)75-45-38(63)35(60)33(58)29(21-54)72-45/h8-11,20,29-31,33-41,44-46,54-56,58-64H,2-7,12-19,21-23H2,1H3,(H,48,65)(H,49,66)(H,51,57)/t29-,30-,31-,33+,34+,35+,36-,37-,38-,39-,40-,41+,44-,45+,46+/m1/s1