(2S,3R)-3-[(2S,3R,4R,5R,6R)-3-acetamido-5-acetyloxy-6-(acetyloxymethyl)-4-[(2R,3R,4S,5S,6R)-4,5-diacetyloxy-6-(acetyloxymethyl)-3-[(2S,3S,4R,5R,6S)-3,4,5-triacetyloxy-6-methyl-oxan-2-yl]oxy-oxan-2-yl]oxy-oxan-2-yl]oxy-2-azanyl-butanoic acid

Systemtic Name: (2S,3R)-3-[(2S,3R,4R,5R,6R)-3-acetamido-5-acetyloxy-6-(acetyloxymethyl)-4-[(2R,3R,4S,5S,6R)-4,5-diacetyloxy-6-(acetyloxymethyl)-3-[(2S,3S,4R,5R,6S)-3,4,5-triacetyloxy-6-methyl-oxan-2-yl]oxy-oxan-2-yl]oxy-oxan-2-yl]oxy-2-azanyl-butanoic acid Openeye Name: (2S,3R)-3-[(2S,3R,4R,5R,6R)-3-acetamido-5-acetoxy-6-(acetoxymethyl)-4-[(2R,3R,4S,5S,6R)-4,5-diacetoxy-6-(acetoxymethyl)-3-[(2S,3S,4R,5R,6S)-3,4,5-triacetoxy-6-methyl-tetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl]oxy-2-amino-butanoic acid CAS Name: (2S,3R)-3-[[(2S,3R,4R,5R,6R)-3-acetamido-5-acetyloxy-6-(acetyloxymethyl)-4-[[(2R,3R,4S,5S,6R)-4,5-diacetyloxy-6-(acetyloxymethyl)-3-[[(2S,3S,4R,5R,6S)-3,4,5-triacetyloxy-6-methyl-2-oxanyl]oxy]-2-oxanyl]oxy]-2-oxanyl]oxy]-2-aminobutanoic acid IUPAC Name: (2S,3R)-3-[(2S,3R,4R,5R,6R)-3-acetamido-5-acetyloxy-6-(acetyloxymethyl)-4-[(2R,3R,4S,5S,6R)-4,5-diacetyloxy-6-(acetyloxymethyl)-3-[(2S,3S,4R,5R,6S)-3,4,5-triacetyloxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxyoxan-2-yl]oxy-2-aminobutanoic acid Traditional Name: (2S,3R)-3-[(2S,3R,4R,5R,6R)-3-acetamido-5-acetoxy-6-(acetoxymethyl)-4-[(2R,3R,4S,5S,6R)-4,5-diacetoxy-6-(acetoxymethyl)-3-[(2S,3S,4R,5R,6S)-3,4,5-triacetoxy-6-methyl-tetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl]oxy-2-amino-butyric acid Formula: C40H58N2O25 MolecularWeight: 966.88692

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(C(C(C(O1)OC2C(C(C(OC2OC3C(C(OC(C3OC(=O)C)COC(=O)C)OC(C)C(C(=O)O)N)NC(=O)C)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C

Isomeric SMILES

C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)O[C@@H]2[C@H]([C@H]([C@H](O[C@H]2O[C@@H]3[C@H]([C@H](O[C@@H]([C@@H]3OC(=O)C)COC(=O)C)O[C@H](C)[C@@H](C(=O)O)N)NC(=O)C)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C

InChI

InChI=1S/C40H58N2O25/c1-14(27(41)37(52)53)56-38-28(42-16(3)43)32(30(59-20(7)47)25(64-38)12-54-17(4)44)66-40-36(34(62-23(10)50)31(60-21(8)48)26(65-40)13-55-18(5)45)67-39-35(63-24(11)51)33(61-22(9)49)29(15(2)57-39)58-19(6)46/h14-15,25-36,38-40H,12-13,41H2,1-11H3,(H,42,43)(H,52,53)/t14-,15+,25-,26-,27+,28-,29-,30+,31+,32-,33-,34+,35+,36-,38+,39+,40+/m1/s1