(2S,5R)-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)-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-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-[[1-[2-[[1-(2-acetylpyrrolidin-1-yl)-1-oxopropan-2-yl]carbamoyl]pyrrolidin-1-yl]-5-carbamimidamido-1-oxopentan-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

C120H193N23O64 — CID 140541083

About (2S,5R)-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)-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-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-[[1-[2-[[1-(2-acetylpyrrolidin-1-yl)-1-oxopropan-2-yl]carbamoyl]pyrrolidin-1-yl]-5-carbamimidamido-1-oxopentan-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,5R)-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)-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-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-[[1-[2-[[1-(2-acetylpyrrolidin-1-yl)-1-oxopropan-2-yl]carbamoyl]pyrrolidin-1-yl]-5-carbamimidamido-1-oxopentan-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 140541083) has the molecular formula C120H193N23O64 and a molecular weight of 2981.96 g/mol. Its IUPAC name is (2S,5R)-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)-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-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-[[1-[2-[[1-(2-acetylpyrrolidin-1-yl)-1-oxopropan-2-yl]carbamoyl]pyrrolidin-1-yl]-5-carbamimidamido-1-oxopentan-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,5R)-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)-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-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-[[1-[2-[[1-(2-acetylpyrrolidin-1-yl)-1-oxopropan-2-yl]carbamoyl]pyrrolidin-1-yl]-5-carbamimidamido-1-oxopentan-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: 140541083
• Molecular Formula: C120H193N23O64
• Molecular Weight: 2981.96 g/mol
• Exact Mass: 2980.26
• IUPAC Name: (2S,5R)-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)-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-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-[[1-[2-[[1-(2-acetylpyrrolidin-1-yl)-1-oxopropan-2-yl]carbamoyl]pyrrolidin-1-yl]-5-carbamimidamido-1-oxopentan-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(N)Cc1c[nH]cn1)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([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([C@H](O)[C@H](O)CO)O3)C2O)C1NC(C)=O)C(=O)N1CCCC1C(=O)NC(C)C(=O)N1CCCC1C(C)=O
• InChI: InChI=1S/C120H193N23O64/c1-41(2)72(138-70(162)30-126-99(177)53(121)25-52-29-124-40-127-52)104(182)140-74(46(7)194-112-79(134-51(12)157)94(86(171)69(200-112)39-192-110-77(132-49(10)155)87(172)92(68(38-151)199-110)201-113-89(174)88(173)82(167)64(34-147)196-113)203-115-91(176)98(85(170)67(37-150)198-115)207-120(117(190)191)28-61(159)76(131-48(9)154)96(205-120)81(166)63(161)33-146)106(184)137-56(31-144)101(179)128-42(3)108(186)142-23-15-20-59(142)103(181)136-55(26-71(163)164)100(178)139-73(105(183)135-54(17-13-21-125-118(122)123)109(187)143-24-16-19-58(143)102(180)129-43(4)107(185)141-22-14-18-57(141)44(5)152)45(6)193-111-78(133-50(11)156)93(83(168)65(35-148)195-111)202-114-90(175)97(84(169)66(36-149)197-114)206-119(116(188)189)27-60(158)75(130-47(8)153)95(204-119)80(165)62(160)32-145/h29,40-43,45-46,53-69,72-98,110-115,144-151,158-161,165-176H,13-28,30-39,121H2,1-12H3,(H,124,127)(H,126,177)(H,128,179)(H,129,180)(H,130,153)(H,131,154)(H,132,155)(H,133,156)(H,134,157)(H,135,183)(H,136,181)(H,137,184)(H,138,162)(H,139,178)(H,140,182)(H,163,164)(H,188,189)(H,190,191)(H4,122,123,125)/t42?,43?,45?,46?,53?,54?,55?,56?,57?,58?,59?,60?,61?,62-,63-,64+,65+,66+,67+,68+,69+,72?,73?,74?,75-,76-,77?,78?,79?,80-,81-,82+,83+,84+,85+,86+,87?,88?,89?,90?,91?,92-,93?,94?,95?,96?,97?,98?,110-,111+,112+,113+,114+,115+,119+,120+/m1/s1
• InChIKey: RYSBQPWQQMMLIV-IAVHNLHZSA-N
• XLogP: -26.25
• TPSA: 1347.10 Ų
• H-Bond Donors: 46
• H-Bond Acceptors: 64
• Rotatable Bonds: 69
• Heavy Atoms: 207
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2981.96
LogP ≤ 5	-26.25
H-Bond Donors ≤ 5	46
H-Bond Acceptors ≤ 10	64

Frequently Asked Questions

What is the IUPAC name of (2S,5R)-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)-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-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-[[1-[2-[[1-(2-acetylpyrrolidin-1-yl)-1-oxopropan-2-yl]carbamoyl]pyrrolidin-1-yl]-5-carbamimidamido-1-oxopentan-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,5R)-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)-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-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-[[1-[2-[[1-(2-acetylpyrrolidin-1-yl)-1-oxopropan-2-yl]carbamoyl]pyrrolidin-1-yl]-5-carbamimidamido-1-oxopentan-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 140541083) is (2S,5R)-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)-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-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-[[1-[2-[[1-(2-acetylpyrrolidin-1-yl)-1-oxopropan-2-yl]carbamoyl]pyrrolidin-1-yl]-5-carbamimidamido-1-oxopentan-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,5R)-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)-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-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-[[1-[2-[[1-(2-acetylpyrrolidin-1-yl)-1-oxopropan-2-yl]carbamoyl]pyrrolidin-1-yl]-5-carbamimidamido-1-oxopentan-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,5R)-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)-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-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-[[1-[2-[[1-(2-acetylpyrrolidin-1-yl)-1-oxopropan-2-yl]carbamoyl]pyrrolidin-1-yl]-5-carbamimidamido-1-oxopentan-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(N)Cc1c[nH]cn1)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([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([C@H](O)[C@H](O)CO)O3)C2O)C1NC(C)=O)C(=O)N1CCCC1C(=O)NC(C)C(=O)N1CCCC1C(C)=O.

What is the InChIKey of (2S,5R)-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)-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-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-[[1-[2-[[1-(2-acetylpyrrolidin-1-yl)-1-oxopropan-2-yl]carbamoyl]pyrrolidin-1-yl]-5-carbamimidamido-1-oxopentan-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 RYSBQPWQQMMLIV-IAVHNLHZSA-N. The full InChI is InChI=1S/C120H193N23O64/c1-41(2)72(138-70(162)30-126-99(177)53(121)25-52-29-124-40-127-52)104(182)140-74(46(7)194-112-79(134-51(12)157)94(86(171)69(200-112)39-192-110-77(132-49(10)155)87(172)92(68(38-151)199-110)201-113-89(174)88(173)82(167)64(34-147)196-113)203-115-91(176)98(85(170)67(37-150)198-115)207-120(117(190)191)28-61(159)76(131-48(9)154)96(205-120)81(166)63(161)33-146)106(184)137-56(31-144)101(179)128-42(3)108(186)142-23-15-20-59(142)103(181)136-55(26-71(163)164)100(178)139-73(105(183)135-54(17-13-21-125-118(122)123)109(187)143-24-16-19-58(143)102(180)129-43(4)107(185)141-22-14-18-57(141)44(5)152)45(6)193-111-78(133-50(11)156)93(83(168)65(35-148)195-111)202-114-90(175)97(84(169)66(36-149)197-114)206-119(116(188)189)27-60(158)75(130-47(8)153)95(204-119)80(165)62(160)32-145/h29,40-43,45-46,53-69,72-98,110-115,144-151,158-161,165-176H,13-28,30-39,121H2,1-12H3,(H,124,127)(H,126,177)(H,128,179)(H,129,180)(H,130,153)(H,131,154)(H,132,155)(H,133,156)(H,134,157)(H,135,183)(H,136,181)(H,137,184)(H,138,162)(H,139,178)(H,140,182)(H,163,164)(H,188,189)(H,190,191)(H4,122,123,125)/t42?,43?,45?,46?,53?,54?,55?,56?,57?,58?,59?,60?,61?,62-,63-,64+,65+,66+,67+,68+,69+,72?,73?,74?,75-,76-,77?,78?,79?,80-,81-,82+,83+,84+,85+,86+,87?,88?,89?,90?,91?,92-,93?,94?,95?,96?,97?,98?,110-,111+,112+,113+,114+,115+,119+,120+/m1/s1.

What are the key properties of (2S,5R)-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)-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-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-[[1-[2-[[1-(2-acetylpyrrolidin-1-yl)-1-oxopropan-2-yl]carbamoyl]pyrrolidin-1-yl]-5-carbamimidamido-1-oxopentan-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,5R)-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)-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-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-[[1-[2-[[1-(2-acetylpyrrolidin-1-yl)-1-oxopropan-2-yl]carbamoyl]pyrrolidin-1-yl]-5-carbamimidamido-1-oxopentan-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 2981.96 g/mol, XLogP of -26.25, 69 rotatable bonds, 46 hydrogen bond donors, and 64 hydrogen bond acceptors.

Where does this data come from?

All data for (2S,5R)-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)-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-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-[[1-[2-[[1-(2-acetylpyrrolidin-1-yl)-1-oxopropan-2-yl]carbamoyl]pyrrolidin-1-yl]-5-carbamimidamido-1-oxopentan-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 140541083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).