N-[6-[[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]amino]-6-oxidanylidene-hexyl]-5-[3-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenoxy]propyl]-1,2-oxazole-3-carboxamide

Systemtic Name: N-[6-[[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]amino]-6-oxidanylidene-hexyl]-5-[3-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenoxy]propyl]-1,2-oxazole-3-carboxamide Openeye Name: N-[6-[[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]amino]-6-oxo-hexyl]-5-[3-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenoxy]propyl]isoxazole-3-carboxamide CAS Name: N-[6-[[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]amino]-6-oxohexyl]-5-[3-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenoxy]propyl]-3-isoxazolecarboxamide IUPAC Name: N-[6-[[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]amino]-6-oxohexyl]-5-[3-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenoxy]propyl]-1,2-oxazole-3-carboxamide Traditional Name: N-[6-[[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]amino]-6-keto-hexyl]-5-[3-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenoxy]propyl]isoxazole-3-carboxamide Formula: C46H68N6O21 MolecularWeight: 1041.05972

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NO1)C2=CC=C(C=C2)OCCCC3=CC(=NO3)C(=O)NCCCCCC(=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)NCCCCCC(=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/C46H68N6O21/c1-23-49-42(52-72-23)24-12-14-25(15-13-24)66-18-8-9-26-19-27(51-73-26)43(65)48-17-7-2-4-10-31(56)47-16-6-3-5-11-32(57)50-44-37(62)36(61)40(30(22-55)67-44)70-46-39(64)41(34(59)29(21-54)69-46)71-45-38(63)35(60)33(58)28(20-53)68-45/h12-15,19,28-30,33-41,44-46,53-55,58-64H,2-11,16-18,20-22H2,1H3,(H,47,56)(H,48,65)(H,50,57)/t28-,29-,30-,33+,34+,35+,36-,37-,38-,39-,40-,41+,44-,45+,46+/m1/s1