(2S)-3-[(2S,3R,4R,5R,6R)-6-[[(2R,4aR,6R,7R,8R,8aS)-7-acetamido-8-acetyloxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]oxymethyl]-3-acetamido-5-acetyloxy-4-[(2R,3R,4S,5S,6R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxy-oxan-2-yl]oxy-2-[ethanoyl(9H-fluoren-9-ylmethoxycarbonyl)amino]propanoic acid

Systemtic Name: (2S)-3-[(2S,3R,4R,5R,6R)-6-[[(2R,4aR,6R,7R,8R,8aS)-7-acetamido-8-acetyloxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]oxymethyl]-3-acetamido-5-acetyloxy-4-[(2R,3R,4S,5S,6R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxy-oxan-2-yl]oxy-2-[ethanoyl(9H-fluoren-9-ylmethoxycarbonyl)amino]propanoic acid Openeye Name: (2S)-3-[(2S,3R,4R,5R,6R)-6-[[(2R,4aR,6R,7R,8R,8aS)-7-acetamido-8-acetoxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]oxymethyl]-3-acetamido-5-acetoxy-4-[(2R,3R,4S,5S,6R)-3,4,5-triacetoxy-6-(acetoxymethyl)tetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl]oxy-2-[acetyl(9H-fluoren-9-ylmethoxycarbonyl)amino]propanoic acid CAS Name: (2S)-3-[[(2S,3R,4R,5R,6R)-6-[[(2R,4aR,6R,7R,8R,8aS)-7-acetamido-8-acetyloxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]oxymethyl]-3-acetamido-5-acetyloxy-4-[[(2R,3R,4S,5S,6R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)-2-oxanyl]oxy]-2-oxanyl]oxy]-2-[acetyl-[9H-fluoren-9-ylmethoxy(oxo)methyl]amino]propanoic acid IUPAC Name: (2S)-3-[(2S,3R,4R,5R,6R)-6-[[(2R,4aR,6R,7R,8R,8aS)-7-acetamido-8-acetyloxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]oxymethyl]-3-acetamido-5-acetyloxy-4-[(2R,3R,4S,5S,6R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-2-[acetyl(9H-fluoren-9-ylmethoxycarbonyl)amino]propanoic acid Traditional Name: (2S)-3-[(2S,3R,4R,5R,6R)-6-[[(2R,4aR,6R,7R,8R,8aS)-7-acetamido-8-acetoxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]oxymethyl]-3-acetamido-5-acetoxy-4-[(2R,3R,4S,5S,6R)-3,4,5-triacetoxy-6-(acetoxymethyl)tetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl]oxy-2-[acetyl(9H-fluoren-9-ylmethoxycarbonyl)amino]propionic acid Formula: C61H71N3O27 MolecularWeight: 1278.22034

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1C(C2C(COC(O2)C3=CC=CC=C3)OC1OCC4C(C(C(C(O4)OCC(C(=O)O)N(C(=O)C)C(=O)OCC5C6=CC=CC=C6C7=CC=CC=C57)NC(=O)C)OC8C(C(C(C(O8)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C

Isomeric SMILES

CC(=O)N[C@@H]1[C@H]([C@H]2[C@@H](CO[C@H](O2)C3=CC=CC=C3)O[C@H]1OC[C@@H]4[C@@H]([C@@H]([C@H]([C@H](O4)OC[C@@H](C(=O)O)N(C(=O)C)C(=O)OCC5C6=CC=CC=C6C7=CC=CC=C57)NC(=O)C)O[C@H]8[C@@H]([C@H]([C@H]([C@H](O8)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C

InChI

InChI=1S/C61H71N3O27/c1-28(65)62-47-52(84-34(7)71)50-46(26-79-57(90-50)37-17-11-10-12-18-37)88-59(47)80-27-45-49(82-32(5)69)53(91-60-55(86-36(9)73)54(85-35(8)72)51(83-33(6)70)44(89-60)25-77-31(4)68)48(63-29(2)66)58(87-45)78-24-43(56(74)75)64(30(3)67)61(76)81-23-42-40-21-15-13-19-38(40)39-20-14-16-22-41(39)42/h10-22,42-55,57-60H,23-27H2,1-9H3,(H,62,65)(H,63,66)(H,74,75)/t43-,44+,45+,46+,47+,48+,49-,50+,51-,52+,53+,54-,55+,57+,58-,59+,60-/m0/s1