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lithium (2S,4S,5R,6R)-5-acetamido-2-[(2S,3R,4R,5S,6R)-2-[(2R,3S,4R,5R,6S)-5-acetamido-6-[(2S,3R,4S,5S,6R)-2-[(2R,3R,4S,5R,6R)-6-(3-azidopropoxy)-4,5-bis(phenylmethoxy)-2-(phenylmethoxymethyl)oxan-3-yl]oxy-5-oxidanyl-3-phenylmethoxy-6-(phenylmethoxymethyl)oxan-4-yl]oxy-2-[[(2R,3R,4R,5S,6R)-6-(hydroxymethyl)-5-[(2S,3R,4S,5R,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-3,4-bis(oxidanyl)oxan-2-yl]oxymethyl]-4-phenylmethoxy-oxan-3-yl]oxy-5-acetyloxy-6-(hydroxymethyl)-3-oxidanyl-oxan-4-yl]oxy-4-oxidany

Systemtic Name:	lithium (2S,4S,5R,6R)-5-acetamido-2-[(2S,3R,4R,5S,6R)-2-[(2R,3S,4R,5R,6S)-5-acetamido-6-[(2S,3R,4S,5S,6R)-2-[(2R,3R,4S,5R,6R)-6-(3-azidopropoxy)-4,5-bis(phenylmethoxy)-2-(phenylmethoxymethyl)oxan-3-yl]oxy-5-oxidanyl-3-phenylmethoxy-6-(phenylmethoxymethyl)oxan-4-yl]oxy-2-[[(2R,3R,4R,5S,6R)-6-(hydroxymethyl)-5-[(2S,3R,4S,5R,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-3,4-bis(oxidanyl)oxan-2-yl]oxymethyl]-4-phenylmethoxy-oxan-3-yl]oxy-5-acetyloxy-6-(hydroxymethyl)-3-oxidanyl-oxan-4-yl]oxy-4-oxidany
Openeye Name:	lithium (2S,4S,5R,6R)-5-acetamido-2-[(2S,3R,4R,5S,6R)-2-[(2R,3S,4R,5R,6S)-5-acetamido-6-[(2S,3R,4S,5S,6R)-2-[(2R,3R,4S,5R,6R)-6-(3-azidopropoxy)-4,5-dibenzyloxy-2-(benzyloxymethyl)tetrahydropyran-3-yl]oxy-3-benzyloxy-6-(benzyloxymethyl)-5-hydroxy-tetrahydropyran-4-yl]oxy-4-benzyloxy-2-[[(2R,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl]oxymethyl]tetrahydropyran-3-yl]oxy-5-acetoxy-3-hydroxy-6-(hydroxymethyl)tet
CAS Name:	lithium (2S,4S,5R,6R)-5-acetamido-2-[[(2S,3R,4R,5S,6R)-2-[[(2R,3S,4R,5R,6S)-5-acetamido-6-[[(2S,3R,4S,5S,6R)-2-[[(2R,3R,4S,5R,6R)-6-(3-azidopropoxy)-4,5-bis(phenylmethoxy)-2-(phenylmethoxymethyl)-3-oxanyl]oxy]-5-hydroxy-3-phenylmethoxy-6-(phenylmethoxymethyl)-4-oxanyl]oxy]-2-[[(2R,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]-2-oxanyl]oxymethyl]-4-phenylmethoxy-3-oxanyl]oxy]-5-acetyloxy-3-hydroxy-6-(hydroxymethyl)-4-oxanyl]oxy]-4-hydroxy-6
IUPAC Name:	lithium (2S,4S,5R,6R)-5-acetamido-2-[(2S,3R,4R,5S,6R)-2-[(2R,3S,4R,5R,6S)-5-acetamido-6-[(2S,3R,4S,5S,6R)-2-[(2R,3R,4S,5R,6R)-6-(3-azidopropoxy)-4,5-bis(phenylmethoxy)-2-(phenylmethoxymethyl)oxan-3-yl]oxy-5-hydroxy-3-phenylmethoxy-6-(phenylmethoxymethyl)oxan-4-yl]oxy-2-[[(2R,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxymethyl]-4-phenylmethoxyoxan-3-yl]oxy-5-acetyloxy-3-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4-hydroxy-6-[(1R,2R)-
Traditional Name:	lithium (2S,4S,5R,6R)-5-acetamido-2-[(2S,3R,4R,5S,6R)-2-[(2R,3S,4R,5R,6S)-5-acetamido-6-[(2S,3R,4S,5S,6R)-2-[(2R,3R,4S,5R,6R)-6-(3-azidopropoxy)-4,5-dibenzoxy-2-(benzoxymethyl)tetrahydropyran-3-yl]oxy-3-benzoxy-6-(benzoxymethyl)-5-hydroxy-tetrahydropyran-4-yl]oxy-4-benzoxy-2-[[(2R,3R,4R,5S,6R)-3,4-dihydroxy-6-methylol-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl]oxymethyl]tetrahydropyran-3-yl]oxy-5-acetoxy-3-hydroxy-6-methylol-tetrahydropyran-4-yl]oxy-4-hydro
Formula:	C₉₆H₁₂₄LiN₅O₄₀
MolecularWeight:	1994.96226

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Descriptors Computed from Structure

Canonical SMILES:

[Li+].CC(=O)NC1C(CC(OC1C(C(CO)O)O)(C(=O)[O-])OC2C(C(OC(C2OC(=O)C)CO)OC3C(OC(C(C3OCC4=CC=CC=C4)NC(=O)C)OC5C(C(OC(C5OCC6=CC=CC=C6)OC7C(OC(C(C7OCC8=CC=CC=C8)OCC9=CC=CC=C9)OCCCN=[N+]=[N-])COCC1=CC=CC=C1)COCC1=CC=CC=C1)O)COC1C(C(C(C(O1)CO)OC1C(C(C(C(O1)CO)O)O)O)O)O)O)O

Isomeric SMILES

[Li+].CC(=O)N[C@@H]1[C@H](C[C@@](O[C@H]1[C@@H]([C@@H](CO)O)O)(C(=O)[O-])O[C@@H]2[C@H]([C@@H](O[C@@H]([C@@H]2OC(=O)C)CO)O[C@@H]3[C@H](O[C@H]([C@@H]([C@H]3OCC4=CC=CC=C4)NC(=O)C)O[C@H]5[C@H]([C@H](O[C@H]([C@@H]5OCC6=CC=CC=C6)O[C@@H]7[C@H](O[C@H]([C@@H]([C@H]7OCC8=CC=CC=C8)OCC9=CC=CC=C9)OCCCN=[N+]=[N-])COCC1=CC=CC=C1)COCC1=CC=CC=C1)O)CO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)O)O)O)O

InChI

InChI=1S/C96H125N5O40.Li/c1-51(106)99-68-60(109)37-96(95(119)120,140-82(68)70(111)61(110)38-102)141-85-77(118)92(132-64(41-105)79(85)129-53(3)108)137-80-67(50-128-90-76(117)74(115)78(63(40-104)131-90)136-91-75(116)73(114)71(112)62(39-103)130-91)134-89(69(100-52(2)107)83(80)124-44-56-27-14-6-15-28-56)139-84-72(113)65(48-121-42-54-23-10-4-11-24-54)133-94(87(84)126-46-58-31-18-8-19-32-58)138-81-66(49-122-43-55-25-12-5-13-26-55)135-93(123-36-22-35-98-101-97)88(127-47-59-33-20-9-21-34-59)86(81)125-45-57-29-16-7-17-30-57;/h4-21,23-34,60-94,102-105,109-118H,22,35-50H2,1-3H3,(H,99,106)(H,100,107)(H,119,120);/q;+1/p-1/t60-,61+,62+,63+,64+,65+,66+,67+,68+,69+,70+,71-,72-,73-,74+,75+,76+,77+,78+,79-,80+,81+,82+,83+,84-,85+,86-,87+,88+,89-,90+,91-,92-,93+,94-,96-;/m0./s1

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