[(2R,3R,4S,5R,6R)-4,5-diacetyloxy-3-[(2S,3R,4S,5S,6R)-3,5-diacetyloxy-6-(acetyloxymethyl)-4-[(2S,3R,4S,5S,6R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxy-oxan-2-yl]oxy-6-[6-[[5-[3-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenoxy]propyl]-1,2-oxazol-3-yl]carbonylamino]hexanoylamino]oxan-2-yl]methyl ethanoate

Systemtic Name: [(2R,3R,4S,5R,6R)-4,5-diacetyloxy-3-[(2S,3R,4S,5S,6R)-3,5-diacetyloxy-6-(acetyloxymethyl)-4-[(2S,3R,4S,5S,6R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxy-oxan-2-yl]oxy-6-[6-[[5-[3-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenoxy]propyl]-1,2-oxazol-3-yl]carbonylamino]hexanoylamino]oxan-2-yl]methyl ethanoate Openeye Name: [(2R,3R,4S,5R,6R)-4,5-diacetoxy-3-[(2S,3R,4S,5S,6R)-3,5-diacetoxy-6-(acetoxymethyl)-4-[(2S,3R,4S,5S,6R)-3,4,5-triacetoxy-6-(acetoxymethyl)tetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl]oxy-6-[6-[[5-[3-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenoxy]propyl]isoxazole-3-carbonyl]amino]hexanoylamino]tetrahydropyran-2-yl]methyl acetate CAS Name: acetic acid [(2R,3R,4S,5R,6R)-4,5-diacetyloxy-3-[[(2S,3R,4S,5S,6R)-3,5-diacetyloxy-6-(acetyloxymethyl)-4-[[(2S,3R,4S,5S,6R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)-2-oxanyl]oxy]-2-oxanyl]oxy]-6-[[6-[[[5-[3-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenoxy]propyl]-3-isoxazolyl]-oxomethyl]amino]-1-oxohexyl]amino]-2-oxanyl]methyl ester IUPAC Name: [(2R,3R,4S,5R,6R)-4,5-diacetyloxy-3-[(2S,3R,4S,5S,6R)-3,5-diacetyloxy-6-(acetyloxymethyl)-4-[(2S,3R,4S,5S,6R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-6-[6-[[5-[3-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenoxy]propyl]-1,2-oxazole-3-carbonyl]amino]hexanoylamino]oxan-2-yl]methyl acetate Traditional Name: acetic acid [(2R,3R,4S,5R,6R)-4,5-diacetoxy-3-[(2S,3R,4S,5S,6R)-3,5-diacetoxy-6-(acetoxymethyl)-4-[(2S,3R,4S,5S,6R)-3,4,5-triacetoxy-6-(acetoxymethyl)tetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl]oxy-6-[6-[[5-[3-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenoxy]propyl]isoxazole-3-carbonyl]amino]hexanoylamino]tetrahydropyran-2-yl]methyl ester Formula: C60H77N5O30 MolecularWeight: 1348.26888

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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)NC4C(C(C(C(O4)COC(=O)C)OC5C(C(C(C(O5)COC(=O)C)OC(=O)C)OC6C(C(C(C(O6)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C

Isomeric SMILES

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

InChI

InChI=1S/C60H77N5O30/c1-28-62-56(65-94-28)39-18-20-40(21-19-39)78-23-15-16-41-24-42(64-95-41)57(77)61-22-14-12-13-17-46(76)63-58-53(86-36(9)73)50(84-34(7)71)49(43(89-58)25-79-29(2)66)92-59-55(88-38(11)75)52(48(83-33(6)70)45(90-59)27-81-31(4)68)93-60-54(87-37(10)74)51(85-35(8)72)47(82-32(5)69)44(91-60)26-80-30(3)67/h18-21,24,43-45,47-55,58-60H,12-17,22-23,25-27H2,1-11H3,(H,61,77)(H,63,76)/t43-,44-,45-,47+,48+,49-,50+,51+,52+,53-,54-,55-,58-,59+,60+/m1/s1