(2S,5S,6R)-5-acetamido-2-[(2R,5S,6S)-2-[(2S,5R,6S)-3-acetamido-2-[3-[[2-[[1-[2-[[2-[[3-[(2S,5R,6S)-3-acetamido-4-[(2R,5S,6S)-4-[(2S,5R,6R)-5-acetamido-2-carboxy-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxan-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[[(2R,5S,6S)-3-acetamido-4-hydroxy-6-(hydroxymethyl)-5-[(2S,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxymethyl]-5-hydroxyoxan-2-yl]oxy-2-[[2-[[2-[[2-[[2-[[2-[[(5E)-5-[6-[(5-amino-2-ethyl-4-methyl-5-oxopentanoyl)amino]hexoxyimino]hexanoyl]amino]-3-phenylpropanoyl]amino]-4-carboxybutanoyl]amino]-3-(1H-imidazol-4-yl)propanoyl]amino]acetyl]amino]-3-methylbutanoyl]amino]butanoyl]amino]-3-hydroxypropanoyl]amino]propanoyl]pyrrolidine-2-carbonyl]amino]-3-carboxypropanoyl]amino]-4-[[5-carbamimidamido-1-oxo-1-[2-(propan-2-ylcarbamoyl)pyrrolidin-1-yl]pentan-2-yl]amino]-4-oxobutan-2-yl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid

C148H237N27O70 — CID 140540975

About (2S,5S,6R)-5-acetamido-2-[(2R,5S,6S)-2-[(2S,5R,6S)-3-acetamido-2-[3-[[2-[[1-[2-[[2-[[3-[(2S,5R,6S)-3-acetamido-4-[(2R,5S,6S)-4-[(2S,5R,6R)-5-acetamido-2-carboxy-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxan-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[[(2R,5S,6S)-3-acetamido-4-hydroxy-6-(hydroxymethyl)-5-[(2S,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxymethyl]-5-hydroxyoxan-2-yl]oxy-2-[[2-[[2-[[2-[[2-[[2-[[(5E)-5-[6-[(5-amino-2-ethyl-4-methyl-5-oxopentanoyl)amino]hexoxyimino]hexanoyl]amino]-3-phenylpropanoyl]amino]-4-carboxybutanoyl]amino]-3-(1H-imidazol-4-yl)propanoyl]amino]acetyl]amino]-3-methylbutanoyl]amino]butanoyl]amino]-3-hydroxypropanoyl]amino]propanoyl]pyrrolidine-2-carbonyl]amino]-3-carboxypropanoyl]amino]-4-[[5-carbamimidamido-1-oxo-1-[2-(propan-2-ylcarbamoyl)pyrrolidin-1-yl]pentan-2-yl]amino]-4-oxobutan-2-yl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid

(2S,5S,6R)-5-acetamido-2-[(2R,5S,6S)-2-[(2S,5R,6S)-3-acetamido-2-[3-[[2-[[1-[2-[[2-[[3-[(2S,5R,6S)-3-acetamido-4-[(2R,5S,6S)-4-[(2S,5R,6R)-5-acetamido-2-carboxy-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxan-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[[(2R,5S,6S)-3-acetamido-4-hydroxy-6-(hydroxymethyl)-5-[(2S,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxymethyl]-5-hydroxyoxan-2-yl]oxy-2-[[2-[[2-[[2-[[2-[[2-[[(5E)-5-[6-[(5-amino-2-ethyl-4-methyl-5-oxopentanoyl)amino]hexoxyimino]hexanoyl]amino]-3-phenylpropanoyl]amino]-4-carboxybutanoyl]amino]-3-(1H-imidazol-4-yl)propanoyl]amino]acetyl]amino]-3-methylbutanoyl]amino]butanoyl]amino]-3-hydroxypropanoyl]amino]propanoyl]pyrrolidine-2-carbonyl]amino]-3-carboxypropanoyl]amino]-4-[[5-carbamimidamido-1-oxo-1-[2-(propan-2-ylcarbamoyl)pyrrolidin-1-yl]pentan-2-yl]amino]-4-oxobutan-2-yl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid (PubChem CID 140540975) has the molecular formula C148H237N27O70 and a molecular weight of 3514.64 g/mol. Its IUPAC name is (2S,5S,6R)-5-acetamido-2-[(2R,5S,6S)-2-[(2S,5R,6S)-3-acetamido-2-[3-[[2-[[1-[2-[[2-[[3-[(2S,5R,6S)-3-acetamido-4-[(2R,5S,6S)-4-[(2S,5R,6R)-5-acetamido-2-carboxy-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxan-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[[(2R,5S,6S)-3-acetamido-4-hydroxy-6-(hydroxymethyl)-5-[(2S,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxymethyl]-5-hydroxyoxan-2-yl]oxy-2-[[2-[[2-[[2-[[2-[[2-[[(5E)-5-[6-[(5-amino-2-ethyl-4-methyl-5-oxopentanoyl)amino]hexoxyimino]hexanoyl]amino]-3-phenylpropanoyl]amino]-4-carboxybutanoyl]amino]-3-(1H-imidazol-4-yl)propanoyl]amino]acetyl]amino]-3-methylbutanoyl]amino]butanoyl]amino]-3-hydroxypropanoyl]amino]propanoyl]pyrrolidine-2-carbonyl]amino]-3-carboxypropanoyl]amino]-4-[[5-carbamimidamido-1-oxo-1-[2-(propan-2-ylcarbamoyl)pyrrolidin-1-yl]pentan-2-yl]amino]-4-oxobutan-2-yl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid.

Molecular Properties

• Compound Name: (2S,5S,6R)-5-acetamido-2-[(2R,5S,6S)-2-[(2S,5R,6S)-3-acetamido-2-[3-[[2-[[1-[2-[[2-[[3-[(2S,5R,6S)-3-acetamido-4-[(2R,5S,6S)-4-[(2S,5R,6R)-5-acetamido-2-carboxy-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxan-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[[(2R,5S,6S)-3-acetamido-4-hydroxy-6-(hydroxymethyl)-5-[(2S,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxymethyl]-5-hydroxyoxan-2-yl]oxy-2-[[2-[[2-[[2-[[2-[[2-[[(5E)-5-[6-[(5-amino-2-ethyl-4-methyl-5-oxopentanoyl)amino]hexoxyimino]hexanoyl]amino]-3-phenylpropanoyl]amino]-4-carboxybutanoyl]amino]-3-(1H-imidazol-4-yl)propanoyl]amino]acetyl]amino]-3-methylbutanoyl]amino]butanoyl]amino]-3-hydroxypropanoyl]amino]propanoyl]pyrrolidine-2-carbonyl]amino]-3-carboxypropanoyl]amino]-4-[[5-carbamimidamido-1-oxo-1-[2-(propan-2-ylcarbamoyl)pyrrolidin-1-yl]pentan-2-yl]amino]-4-oxobutan-2-yl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid
• PubChem CID: 140540975
• Molecular Formula: C148H237N27O70
• Molecular Weight: 3514.64 g/mol
• Exact Mass: 3512.58
• IUPAC Name: (2S,5S,6R)-5-acetamido-2-[(2R,5S,6S)-2-[(2S,5R,6S)-3-acetamido-2-[3-[[2-[[1-[2-[[2-[[3-[(2S,5R,6S)-3-acetamido-4-[(2R,5S,6S)-4-[(2S,5R,6R)-5-acetamido-2-carboxy-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxan-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[[(2R,5S,6S)-3-acetamido-4-hydroxy-6-(hydroxymethyl)-5-[(2S,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxymethyl]-5-hydroxyoxan-2-yl]oxy-2-[[2-[[2-[[2-[[2-[[2-[[(5E)-5-[6-[(5-amino-2-ethyl-4-methyl-5-oxopentanoyl)amino]hexoxyimino]hexanoyl]amino]-3-phenylpropanoyl]amino]-4-carboxybutanoyl]amino]-3-(1H-imidazol-4-yl)propanoyl]amino]acetyl]amino]-3-methylbutanoyl]amino]butanoyl]amino]-3-hydroxypropanoyl]amino]propanoyl]pyrrolidine-2-carbonyl]amino]-3-carboxypropanoyl]amino]-4-[[5-carbamimidamido-1-oxo-1-[2-(propan-2-ylcarbamoyl)pyrrolidin-1-yl]pentan-2-yl]amino]-4-oxobutan-2-yl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid
• SMILES: [H]/N=C(\N)NCCCC(NC(=O)C(NC(=O)C(CC(=O)O)NC(=O)C1CCCN1C(=O)C(C)NC(=O)C(CO)NC(=O)C(NC(=O)C(NC(=O)CNC(=O)C(Cc1c[nH]cn1)NC(=O)C(CCC(=O)O)NC(=O)C(Cc1ccccc1)NC(=O)CCC/C(C)=N/OCCCCCCNC(=O)C(CC)CC(C)C(N)=O)C(C)C)C(C)O[C@H]1O[C@@H](CO[C@@H]2O[C@@H](CO)[C@@H](O[C@@H]3O[C@@H](CO)[C@H](O)C(O)C3O)C(O)C2NC(C)=O)[C@H](O)C(O[C@@H]2O[C@@H](CO)[C@H](O)C(O[C@]3(C(=O)O)CC(O)[C@@H](NC(C)=O)[C@H]([C@H](O)[C@H](O)CO)O3)C2O)C1NC(C)=O)C(C)O[C@H]1O[C@@H](CO)[C@H](O)C(O[C@@H]2O[C@@H](CO)[C@H](O)C(O[C@]3(C(=O)O)CC(O)[C@H](NC(C)=O)[C@H]([C@H](O)[C@H](O)CO)O3)C2O)C1NC(C)=O)C(=O)N1CCCC1C(=O)NC(C)C
• InChI: InChI=1S/C148H237N27O70/c1-16-73(42-62(6)124(149)211)125(212)153-37-22-17-18-23-41-230-173-63(7)28-24-34-93(193)164-77(43-72-29-20-19-21-30-72)128(215)165-75(35-36-95(195)196)127(214)167-78(44-74-48-152-59-156-74)126(213)155-49-94(194)170-97(60(2)3)133(220)172-99(66(10)232-140-104(163-71(15)188)119(111(205)92(238-140)58-229-138-102(161-69(13)186)112(206)117(91(57-183)237-138)239-141-114(208)113(207)107(201)87(53-179)234-141)241-143-116(210)123(110(204)90(56-182)236-143)245-148(145(227)228)47-84(190)101(160-68(12)185)121(243-148)106(200)86(192)52-178)135(222)169-80(50-176)130(217)158-64(8)136(223)174-39-26-33-82(174)132(219)168-79(45-96(197)198)129(216)171-98(134(221)166-76(31-25-38-154-146(150)151)137(224)175-40-27-32-81(175)131(218)157-61(4)5)65(9)231-139-103(162-70(14)187)118(108(202)88(54-180)233-139)240-142-115(209)122(109(203)89(55-181)235-142)244-147(144(225)226)46-83(189)100(159-67(11)184)120(242-147)105(199)85(191)51-177/h19-21,29-30,48,59-62,64-66,73,75-92,97-123,138-143,176-183,189-192,199-210H,16-18,22-28,31-47,49-58H2,1-15H3,(H2,149,211)(H,152,156)(H,153,212)(H,155,213)(H,157,218)(H,158,217)(H,159,184)(H,160,185)(H,161,186)(H,162,187)(H,163,188)(H,164,193)(H,165,215)(H,166,221)(H,167,214)(H,168,219)(H,169,222)(H,170,194)(H,171,216)(H,172,220)(H,195,196)(H,197,198)(H,225,226)(H,227,228)(H4,150,151,154)/b173-63+/t62?,64?,65?,66?,73?,75?,76?,77?,78?,79?,80?,81?,82?,83?,84?,85-,86-,87+,88+,89+,90+,91+,92+,97?,98?,99?,100+,101-,102?,103?,104?,105-,106-,107+,108+,109+,110+,111+,112?,113?,114?,115?,116?,117-,118?,119?,120-,121-,122?,123?,138-,139+,140+,141+,142+,143+,147+,148+/m1/s1
• InChIKey: YBWIJFRAMAOBAF-MVQFHYBFSA-N
• XLogP: -22.80
• TPSA: 1502.08 Ų
• H-Bond Donors: 51
• H-Bond Acceptors: 69
• Rotatable Bonds: 94
• Heavy Atoms: 245
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3514.64
LogP ≤ 5	-22.80
H-Bond Donors ≤ 5	51
H-Bond Acceptors ≤ 10	69

Frequently Asked Questions

What is the IUPAC name of (2S,5S,6R)-5-acetamido-2-[(2R,5S,6S)-2-[(2S,5R,6S)-3-acetamido-2-[3-[[2-[[1-[2-[[2-[[3-[(2S,5R,6S)-3-acetamido-4-[(2R,5S,6S)-4-[(2S,5R,6R)-5-acetamido-2-carboxy-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxan-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[[(2R,5S,6S)-3-acetamido-4-hydroxy-6-(hydroxymethyl)-5-[(2S,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxymethyl]-5-hydroxyoxan-2-yl]oxy-2-[[2-[[2-[[2-[[2-[[2-[[(5E)-5-[6-[(5-amino-2-ethyl-4-methyl-5-oxopentanoyl)amino]hexoxyimino]hexanoyl]amino]-3-phenylpropanoyl]amino]-4-carboxybutanoyl]amino]-3-(1H-imidazol-4-yl)propanoyl]amino]acetyl]amino]-3-methylbutanoyl]amino]butanoyl]amino]-3-hydroxypropanoyl]amino]propanoyl]pyrrolidine-2-carbonyl]amino]-3-carboxypropanoyl]amino]-4-[[5-carbamimidamido-1-oxo-1-[2-(propan-2-ylcarbamoyl)pyrrolidin-1-yl]pentan-2-yl]amino]-4-oxobutan-2-yl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid?

The IUPAC name of (2S,5S,6R)-5-acetamido-2-[(2R,5S,6S)-2-[(2S,5R,6S)-3-acetamido-2-[3-[[2-[[1-[2-[[2-[[3-[(2S,5R,6S)-3-acetamido-4-[(2R,5S,6S)-4-[(2S,5R,6R)-5-acetamido-2-carboxy-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxan-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[[(2R,5S,6S)-3-acetamido-4-hydroxy-6-(hydroxymethyl)-5-[(2S,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxymethyl]-5-hydroxyoxan-2-yl]oxy-2-[[2-[[2-[[2-[[2-[[2-[[(5E)-5-[6-[(5-amino-2-ethyl-4-methyl-5-oxopentanoyl)amino]hexoxyimino]hexanoyl]amino]-3-phenylpropanoyl]amino]-4-carboxybutanoyl]amino]-3-(1H-imidazol-4-yl)propanoyl]amino]acetyl]amino]-3-methylbutanoyl]amino]butanoyl]amino]-3-hydroxypropanoyl]amino]propanoyl]pyrrolidine-2-carbonyl]amino]-3-carboxypropanoyl]amino]-4-[[5-carbamimidamido-1-oxo-1-[2-(propan-2-ylcarbamoyl)pyrrolidin-1-yl]pentan-2-yl]amino]-4-oxobutan-2-yl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid (CID 140540975) is (2S,5S,6R)-5-acetamido-2-[(2R,5S,6S)-2-[(2S,5R,6S)-3-acetamido-2-[3-[[2-[[1-[2-[[2-[[3-[(2S,5R,6S)-3-acetamido-4-[(2R,5S,6S)-4-[(2S,5R,6R)-5-acetamido-2-carboxy-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxan-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[[(2R,5S,6S)-3-acetamido-4-hydroxy-6-(hydroxymethyl)-5-[(2S,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxymethyl]-5-hydroxyoxan-2-yl]oxy-2-[[2-[[2-[[2-[[2-[[2-[[(5E)-5-[6-[(5-amino-2-ethyl-4-methyl-5-oxopentanoyl)amino]hexoxyimino]hexanoyl]amino]-3-phenylpropanoyl]amino]-4-carboxybutanoyl]amino]-3-(1H-imidazol-4-yl)propanoyl]amino]acetyl]amino]-3-methylbutanoyl]amino]butanoyl]amino]-3-hydroxypropanoyl]amino]propanoyl]pyrrolidine-2-carbonyl]amino]-3-carboxypropanoyl]amino]-4-[[5-carbamimidamido-1-oxo-1-[2-(propan-2-ylcarbamoyl)pyrrolidin-1-yl]pentan-2-yl]amino]-4-oxobutan-2-yl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid.

What is the SMILES notation for (2S,5S,6R)-5-acetamido-2-[(2R,5S,6S)-2-[(2S,5R,6S)-3-acetamido-2-[3-[[2-[[1-[2-[[2-[[3-[(2S,5R,6S)-3-acetamido-4-[(2R,5S,6S)-4-[(2S,5R,6R)-5-acetamido-2-carboxy-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxan-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[[(2R,5S,6S)-3-acetamido-4-hydroxy-6-(hydroxymethyl)-5-[(2S,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxymethyl]-5-hydroxyoxan-2-yl]oxy-2-[[2-[[2-[[2-[[2-[[2-[[(5E)-5-[6-[(5-amino-2-ethyl-4-methyl-5-oxopentanoyl)amino]hexoxyimino]hexanoyl]amino]-3-phenylpropanoyl]amino]-4-carboxybutanoyl]amino]-3-(1H-imidazol-4-yl)propanoyl]amino]acetyl]amino]-3-methylbutanoyl]amino]butanoyl]amino]-3-hydroxypropanoyl]amino]propanoyl]pyrrolidine-2-carbonyl]amino]-3-carboxypropanoyl]amino]-4-[[5-carbamimidamido-1-oxo-1-[2-(propan-2-ylcarbamoyl)pyrrolidin-1-yl]pentan-2-yl]amino]-4-oxobutan-2-yl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid?

The canonical SMILES for (2S,5S,6R)-5-acetamido-2-[(2R,5S,6S)-2-[(2S,5R,6S)-3-acetamido-2-[3-[[2-[[1-[2-[[2-[[3-[(2S,5R,6S)-3-acetamido-4-[(2R,5S,6S)-4-[(2S,5R,6R)-5-acetamido-2-carboxy-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxan-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[[(2R,5S,6S)-3-acetamido-4-hydroxy-6-(hydroxymethyl)-5-[(2S,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxymethyl]-5-hydroxyoxan-2-yl]oxy-2-[[2-[[2-[[2-[[2-[[2-[[(5E)-5-[6-[(5-amino-2-ethyl-4-methyl-5-oxopentanoyl)amino]hexoxyimino]hexanoyl]amino]-3-phenylpropanoyl]amino]-4-carboxybutanoyl]amino]-3-(1H-imidazol-4-yl)propanoyl]amino]acetyl]amino]-3-methylbutanoyl]amino]butanoyl]amino]-3-hydroxypropanoyl]amino]propanoyl]pyrrolidine-2-carbonyl]amino]-3-carboxypropanoyl]amino]-4-[[5-carbamimidamido-1-oxo-1-[2-(propan-2-ylcarbamoyl)pyrrolidin-1-yl]pentan-2-yl]amino]-4-oxobutan-2-yl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid is [H]/N=C(\N)NCCCC(NC(=O)C(NC(=O)C(CC(=O)O)NC(=O)C1CCCN1C(=O)C(C)NC(=O)C(CO)NC(=O)C(NC(=O)C(NC(=O)CNC(=O)C(Cc1c[nH]cn1)NC(=O)C(CCC(=O)O)NC(=O)C(Cc1ccccc1)NC(=O)CCC/C(C)=N/OCCCCCCNC(=O)C(CC)CC(C)C(N)=O)C(C)C)C(C)O[C@H]1O[C@@H](CO[C@@H]2O[C@@H](CO)[C@@H](O[C@@H]3O[C@@H](CO)[C@H](O)C(O)C3O)C(O)C2NC(C)=O)[C@H](O)C(O[C@@H]2O[C@@H](CO)[C@H](O)C(O[C@]3(C(=O)O)CC(O)[C@@H](NC(C)=O)[C@H]([C@H](O)[C@H](O)CO)O3)C2O)C1NC(C)=O)C(C)O[C@H]1O[C@@H](CO)[C@H](O)C(O[C@@H]2O[C@@H](CO)[C@H](O)C(O[C@]3(C(=O)O)CC(O)[C@H](NC(C)=O)[C@H]([C@H](O)[C@H](O)CO)O3)C2O)C1NC(C)=O)C(=O)N1CCCC1C(=O)NC(C)C.

What is the InChIKey of (2S,5S,6R)-5-acetamido-2-[(2R,5S,6S)-2-[(2S,5R,6S)-3-acetamido-2-[3-[[2-[[1-[2-[[2-[[3-[(2S,5R,6S)-3-acetamido-4-[(2R,5S,6S)-4-[(2S,5R,6R)-5-acetamido-2-carboxy-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxan-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[[(2R,5S,6S)-3-acetamido-4-hydroxy-6-(hydroxymethyl)-5-[(2S,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxymethyl]-5-hydroxyoxan-2-yl]oxy-2-[[2-[[2-[[2-[[2-[[2-[[(5E)-5-[6-[(5-amino-2-ethyl-4-methyl-5-oxopentanoyl)amino]hexoxyimino]hexanoyl]amino]-3-phenylpropanoyl]amino]-4-carboxybutanoyl]amino]-3-(1H-imidazol-4-yl)propanoyl]amino]acetyl]amino]-3-methylbutanoyl]amino]butanoyl]amino]-3-hydroxypropanoyl]amino]propanoyl]pyrrolidine-2-carbonyl]amino]-3-carboxypropanoyl]amino]-4-[[5-carbamimidamido-1-oxo-1-[2-(propan-2-ylcarbamoyl)pyrrolidin-1-yl]pentan-2-yl]amino]-4-oxobutan-2-yl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid?

The InChIKey is YBWIJFRAMAOBAF-MVQFHYBFSA-N. The full InChI is InChI=1S/C148H237N27O70/c1-16-73(42-62(6)124(149)211)125(212)153-37-22-17-18-23-41-230-173-63(7)28-24-34-93(193)164-77(43-72-29-20-19-21-30-72)128(215)165-75(35-36-95(195)196)127(214)167-78(44-74-48-152-59-156-74)126(213)155-49-94(194)170-97(60(2)3)133(220)172-99(66(10)232-140-104(163-71(15)188)119(111(205)92(238-140)58-229-138-102(161-69(13)186)112(206)117(91(57-183)237-138)239-141-114(208)113(207)107(201)87(53-179)234-141)241-143-116(210)123(110(204)90(56-182)236-143)245-148(145(227)228)47-84(190)101(160-68(12)185)121(243-148)106(200)86(192)52-178)135(222)169-80(50-176)130(217)158-64(8)136(223)174-39-26-33-82(174)132(219)168-79(45-96(197)198)129(216)171-98(134(221)166-76(31-25-38-154-146(150)151)137(224)175-40-27-32-81(175)131(218)157-61(4)5)65(9)231-139-103(162-70(14)187)118(108(202)88(54-180)233-139)240-142-115(209)122(109(203)89(55-181)235-142)244-147(144(225)226)46-83(189)100(159-67(11)184)120(242-147)105(199)85(191)51-177/h19-21,29-30,48,59-62,64-66,73,75-92,97-123,138-143,176-183,189-192,199-210H,16-18,22-28,31-47,49-58H2,1-15H3,(H2,149,211)(H,152,156)(H,153,212)(H,155,213)(H,157,218)(H,158,217)(H,159,184)(H,160,185)(H,161,186)(H,162,187)(H,163,188)(H,164,193)(H,165,215)(H,166,221)(H,167,214)(H,168,219)(H,169,222)(H,170,194)(H,171,216)(H,172,220)(H,195,196)(H,197,198)(H,225,226)(H,227,228)(H4,150,151,154)/b173-63+/t62?,64?,65?,66?,73?,75?,76?,77?,78?,79?,80?,81?,82?,83?,84?,85-,86-,87+,88+,89+,90+,91+,92+,97?,98?,99?,100+,101-,102?,103?,104?,105-,106-,107+,108+,109+,110+,111+,112?,113?,114?,115?,116?,117-,118?,119?,120-,121-,122?,123?,138-,139+,140+,141+,142+,143+,147+,148+/m1/s1.

What are the key properties of (2S,5S,6R)-5-acetamido-2-[(2R,5S,6S)-2-[(2S,5R,6S)-3-acetamido-2-[3-[[2-[[1-[2-[[2-[[3-[(2S,5R,6S)-3-acetamido-4-[(2R,5S,6S)-4-[(2S,5R,6R)-5-acetamido-2-carboxy-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxan-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[[(2R,5S,6S)-3-acetamido-4-hydroxy-6-(hydroxymethyl)-5-[(2S,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxymethyl]-5-hydroxyoxan-2-yl]oxy-2-[[2-[[2-[[2-[[2-[[2-[[(5E)-5-[6-[(5-amino-2-ethyl-4-methyl-5-oxopentanoyl)amino]hexoxyimino]hexanoyl]amino]-3-phenylpropanoyl]amino]-4-carboxybutanoyl]amino]-3-(1H-imidazol-4-yl)propanoyl]amino]acetyl]amino]-3-methylbutanoyl]amino]butanoyl]amino]-3-hydroxypropanoyl]amino]propanoyl]pyrrolidine-2-carbonyl]amino]-3-carboxypropanoyl]amino]-4-[[5-carbamimidamido-1-oxo-1-[2-(propan-2-ylcarbamoyl)pyrrolidin-1-yl]pentan-2-yl]amino]-4-oxobutan-2-yl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid?

(2S,5S,6R)-5-acetamido-2-[(2R,5S,6S)-2-[(2S,5R,6S)-3-acetamido-2-[3-[[2-[[1-[2-[[2-[[3-[(2S,5R,6S)-3-acetamido-4-[(2R,5S,6S)-4-[(2S,5R,6R)-5-acetamido-2-carboxy-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxan-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[[(2R,5S,6S)-3-acetamido-4-hydroxy-6-(hydroxymethyl)-5-[(2S,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxymethyl]-5-hydroxyoxan-2-yl]oxy-2-[[2-[[2-[[2-[[2-[[2-[[(5E)-5-[6-[(5-amino-2-ethyl-4-methyl-5-oxopentanoyl)amino]hexoxyimino]hexanoyl]amino]-3-phenylpropanoyl]amino]-4-carboxybutanoyl]amino]-3-(1H-imidazol-4-yl)propanoyl]amino]acetyl]amino]-3-methylbutanoyl]amino]butanoyl]amino]-3-hydroxypropanoyl]amino]propanoyl]pyrrolidine-2-carbonyl]amino]-3-carboxypropanoyl]amino]-4-[[5-carbamimidamido-1-oxo-1-[2-(propan-2-ylcarbamoyl)pyrrolidin-1-yl]pentan-2-yl]amino]-4-oxobutan-2-yl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid has a molecular weight of 3514.64 g/mol, XLogP of -22.80, 94 rotatable bonds, 51 hydrogen bond donors, and 69 hydrogen bond acceptors.

Where does this data come from?

All data for (2S,5S,6R)-5-acetamido-2-[(2R,5S,6S)-2-[(2S,5R,6S)-3-acetamido-2-[3-[[2-[[1-[2-[[2-[[3-[(2S,5R,6S)-3-acetamido-4-[(2R,5S,6S)-4-[(2S,5R,6R)-5-acetamido-2-carboxy-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxan-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[[(2R,5S,6S)-3-acetamido-4-hydroxy-6-(hydroxymethyl)-5-[(2S,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxymethyl]-5-hydroxyoxan-2-yl]oxy-2-[[2-[[2-[[2-[[2-[[2-[[(5E)-5-[6-[(5-amino-2-ethyl-4-methyl-5-oxopentanoyl)amino]hexoxyimino]hexanoyl]amino]-3-phenylpropanoyl]amino]-4-carboxybutanoyl]amino]-3-(1H-imidazol-4-yl)propanoyl]amino]acetyl]amino]-3-methylbutanoyl]amino]butanoyl]amino]-3-hydroxypropanoyl]amino]propanoyl]pyrrolidine-2-carbonyl]amino]-3-carboxypropanoyl]amino]-4-[[5-carbamimidamido-1-oxo-1-[2-(propan-2-ylcarbamoyl)pyrrolidin-1-yl]pentan-2-yl]amino]-4-oxobutan-2-yl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid is sourced from PubChem (CID 140540975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).