(2S,5S)-5-acetamido-2-[(2R,5R,6S)-3-acetamido-2-[(2S,5R,6S)-3-acetamido-2-[4-[[1-[[1-[2-[[1-[[3-[(2S,5R,6S)-3-acetamido-4-[(2R,5S,6S)-3-acetamido-5-[(2S,5S,6S)-4-[(2S,5S)-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-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1-[[1-[2-[[1-(2-acetylpyrrolidin-1-yl)-1-oxopropan-2-yl]carbamoyl]pyrrolidin-1-yl]-5-carbamimidamido-1-oxopentan-2-yl]amino]-1-oxobutan-2-yl]amino]-3-carboxy-1-oxopropan-2-yl]carbamoyl]pyrrolidin-1-yl]-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-3-[[2-[[2-[[2-amino-3-(1H-imidazol-4-yl)propanoyl]amino]acetyl]amino]-3-methylbutanoyl]amino]-4-oxobutan-2-yl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid

C116H186N24O59 — CID 140541075

About (2S,5S)-5-acetamido-2-[(2R,5R,6S)-3-acetamido-2-[(2S,5R,6S)-3-acetamido-2-[4-[[1-[[1-[2-[[1-[[3-[(2S,5R,6S)-3-acetamido-4-[(2R,5S,6S)-3-acetamido-5-[(2S,5S,6S)-4-[(2S,5S)-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-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1-[[1-[2-[[1-(2-acetylpyrrolidin-1-yl)-1-oxopropan-2-yl]carbamoyl]pyrrolidin-1-yl]-5-carbamimidamido-1-oxopentan-2-yl]amino]-1-oxobutan-2-yl]amino]-3-carboxy-1-oxopropan-2-yl]carbamoyl]pyrrolidin-1-yl]-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-3-[[2-[[2-[[2-amino-3-(1H-imidazol-4-yl)propanoyl]amino]acetyl]amino]-3-methylbutanoyl]amino]-4-oxobutan-2-yl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid

(2S,5S)-5-acetamido-2-[(2R,5R,6S)-3-acetamido-2-[(2S,5R,6S)-3-acetamido-2-[4-[[1-[[1-[2-[[1-[[3-[(2S,5R,6S)-3-acetamido-4-[(2R,5S,6S)-3-acetamido-5-[(2S,5S,6S)-4-[(2S,5S)-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-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1-[[1-[2-[[1-(2-acetylpyrrolidin-1-yl)-1-oxopropan-2-yl]carbamoyl]pyrrolidin-1-yl]-5-carbamimidamido-1-oxopentan-2-yl]amino]-1-oxobutan-2-yl]amino]-3-carboxy-1-oxopropan-2-yl]carbamoyl]pyrrolidin-1-yl]-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-3-[[2-[[2-[[2-amino-3-(1H-imidazol-4-yl)propanoyl]amino]acetyl]amino]-3-methylbutanoyl]amino]-4-oxobutan-2-yl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid (PubChem CID 140541075) has the molecular formula C116H186N24O59 and a molecular weight of 2860.87 g/mol. Its IUPAC name is (2S,5S)-5-acetamido-2-[(2R,5R,6S)-3-acetamido-2-[(2S,5R,6S)-3-acetamido-2-[4-[[1-[[1-[2-[[1-[[3-[(2S,5R,6S)-3-acetamido-4-[(2R,5S,6S)-3-acetamido-5-[(2S,5S,6S)-4-[(2S,5S)-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-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1-[[1-[2-[[1-(2-acetylpyrrolidin-1-yl)-1-oxopropan-2-yl]carbamoyl]pyrrolidin-1-yl]-5-carbamimidamido-1-oxopentan-2-yl]amino]-1-oxobutan-2-yl]amino]-3-carboxy-1-oxopropan-2-yl]carbamoyl]pyrrolidin-1-yl]-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-3-[[2-[[2-[[2-amino-3-(1H-imidazol-4-yl)propanoyl]amino]acetyl]amino]-3-methylbutanoyl]amino]-4-oxobutan-2-yl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-5-hydroxy-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)-5-acetamido-2-[(2R,5R,6S)-3-acetamido-2-[(2S,5R,6S)-3-acetamido-2-[4-[[1-[[1-[2-[[1-[[3-[(2S,5R,6S)-3-acetamido-4-[(2R,5S,6S)-3-acetamido-5-[(2S,5S,6S)-4-[(2S,5S)-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-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1-[[1-[2-[[1-(2-acetylpyrrolidin-1-yl)-1-oxopropan-2-yl]carbamoyl]pyrrolidin-1-yl]-5-carbamimidamido-1-oxopentan-2-yl]amino]-1-oxobutan-2-yl]amino]-3-carboxy-1-oxopropan-2-yl]carbamoyl]pyrrolidin-1-yl]-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-3-[[2-[[2-[[2-amino-3-(1H-imidazol-4-yl)propanoyl]amino]acetyl]amino]-3-methylbutanoyl]amino]-4-oxobutan-2-yl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid
• PubChem CID: 140541075
• Molecular Formula: C116H186N24O59
• Molecular Weight: 2860.87 g/mol
• Exact Mass: 2859.23
• IUPAC Name: (2S,5S)-5-acetamido-2-[(2R,5R,6S)-3-acetamido-2-[(2S,5R,6S)-3-acetamido-2-[4-[[1-[[1-[2-[[1-[[3-[(2S,5R,6S)-3-acetamido-4-[(2R,5S,6S)-3-acetamido-5-[(2S,5S,6S)-4-[(2S,5S)-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-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1-[[1-[2-[[1-(2-acetylpyrrolidin-1-yl)-1-oxopropan-2-yl]carbamoyl]pyrrolidin-1-yl]-5-carbamimidamido-1-oxopentan-2-yl]amino]-1-oxobutan-2-yl]amino]-3-carboxy-1-oxopropan-2-yl]carbamoyl]pyrrolidin-1-yl]-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-3-[[2-[[2-[[2-amino-3-(1H-imidazol-4-yl)propanoyl]amino]acetyl]amino]-3-methylbutanoyl]amino]-4-oxobutan-2-yl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-5-hydroxy-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](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)C2NC(C)=O)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@@H]3O[C@@H](CO)[C@H](O)C(O[C@]4(C(=O)O)CC(O)[C@H](NC(C)=O)C([C@H](O)[C@H](O)CO)O4)C3O)C(O)C2NC(C)=O)C1NC(C)=O)C(=O)N1CCCC1C(=O)NC(C)C(=O)N1CCCC1C(C)=O
• InChI: InChI=1S/C116H186N24O59/c1-41(2)72(135-70(160)31-122-96(171)54(117)26-53-30-120-40-123-53)101(176)137-74(46(7)187-109-79(130-51(12)154)91(84(166)66(36-145)189-109)195-110-80(131-52(13)155)94(85(167)67(37-146)190-110)198-115(112(182)183)28-61(156)75(126-47(8)150)92(196-115)81(163)63(158)33-142)103(178)134-57(32-141)98(173)124-42(3)105(180)139-24-16-21-60(139)100(175)133-56(27-71(161)162)97(172)136-73(102(177)132-55(18-14-22-121-114(118)119)106(181)140-25-17-20-59(140)99(174)125-43(4)104(179)138-23-15-19-58(138)44(5)149)45(6)186-108-78(129-50(11)153)90(83(165)65(35-144)188-108)194-107-77(128-49(10)152)87(169)89(69(39-148)192-107)193-111-88(170)95(86(168)68(38-147)191-111)199-116(113(184)185)29-62(157)76(127-48(9)151)93(197-116)82(164)64(159)34-143/h30,40-43,45-46,54-69,72-95,107-111,141-148,156-159,163-170H,14-29,31-39,117H2,1-13H3,(H,120,123)(H,122,171)(H,124,173)(H,125,174)(H,126,150)(H,127,151)(H,128,152)(H,129,153)(H,130,154)(H,131,155)(H,132,177)(H,133,175)(H,134,178)(H,135,160)(H,136,172)(H,137,176)(H,161,162)(H,182,183)(H,184,185)(H4,118,119,121)/t42?,43?,45?,46?,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?,107+,108+,109+,110+,111+,115+,116+/m1/s1
• InChIKey: UNRXRVUBFIXVMW-CCEVUMBGSA-N
• XLogP: -23.93
• TPSA: 1276.82 Ų
• H-Bond Donors: 43
• H-Bond Acceptors: 59
• Rotatable Bonds: 67
• Heavy Atoms: 199
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2860.87
LogP ≤ 5	-23.93
H-Bond Donors ≤ 5	43
H-Bond Acceptors ≤ 10	59

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (2S,5S)-5-acetamido-2-[(2R,5R,6S)-3-acetamido-2-[(2S,5R,6S)-3-acetamido-2-[4-[[1-[[1-[2-[[1-[[3-[(2S,5R,6S)-3-acetamido-4-[(2R,5S,6S)-3-acetamido-5-[(2S,5S,6S)-4-[(2S,5S)-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-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1-[[1-[2-[[1-(2-acetylpyrrolidin-1-yl)-1-oxopropan-2-yl]carbamoyl]pyrrolidin-1-yl]-5-carbamimidamido-1-oxopentan-2-yl]amino]-1-oxobutan-2-yl]amino]-3-carboxy-1-oxopropan-2-yl]carbamoyl]pyrrolidin-1-yl]-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-3-[[2-[[2-[[2-amino-3-(1H-imidazol-4-yl)propanoyl]amino]acetyl]amino]-3-methylbutanoyl]amino]-4-oxobutan-2-yl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-5-hydroxy-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)-5-acetamido-2-[(2R,5R,6S)-3-acetamido-2-[(2S,5R,6S)-3-acetamido-2-[4-[[1-[[1-[2-[[1-[[3-[(2S,5R,6S)-3-acetamido-4-[(2R,5S,6S)-3-acetamido-5-[(2S,5S,6S)-4-[(2S,5S)-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-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1-[[1-[2-[[1-(2-acetylpyrrolidin-1-yl)-1-oxopropan-2-yl]carbamoyl]pyrrolidin-1-yl]-5-carbamimidamido-1-oxopentan-2-yl]amino]-1-oxobutan-2-yl]amino]-3-carboxy-1-oxopropan-2-yl]carbamoyl]pyrrolidin-1-yl]-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-3-[[2-[[2-[[2-amino-3-(1H-imidazol-4-yl)propanoyl]amino]acetyl]amino]-3-methylbutanoyl]amino]-4-oxobutan-2-yl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid (CID 140541075) is (2S,5S)-5-acetamido-2-[(2R,5R,6S)-3-acetamido-2-[(2S,5R,6S)-3-acetamido-2-[4-[[1-[[1-[2-[[1-[[3-[(2S,5R,6S)-3-acetamido-4-[(2R,5S,6S)-3-acetamido-5-[(2S,5S,6S)-4-[(2S,5S)-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-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1-[[1-[2-[[1-(2-acetylpyrrolidin-1-yl)-1-oxopropan-2-yl]carbamoyl]pyrrolidin-1-yl]-5-carbamimidamido-1-oxopentan-2-yl]amino]-1-oxobutan-2-yl]amino]-3-carboxy-1-oxopropan-2-yl]carbamoyl]pyrrolidin-1-yl]-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-3-[[2-[[2-[[2-amino-3-(1H-imidazol-4-yl)propanoyl]amino]acetyl]amino]-3-methylbutanoyl]amino]-4-oxobutan-2-yl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-5-hydroxy-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)-5-acetamido-2-[(2R,5R,6S)-3-acetamido-2-[(2S,5R,6S)-3-acetamido-2-[4-[[1-[[1-[2-[[1-[[3-[(2S,5R,6S)-3-acetamido-4-[(2R,5S,6S)-3-acetamido-5-[(2S,5S,6S)-4-[(2S,5S)-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-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1-[[1-[2-[[1-(2-acetylpyrrolidin-1-yl)-1-oxopropan-2-yl]carbamoyl]pyrrolidin-1-yl]-5-carbamimidamido-1-oxopentan-2-yl]amino]-1-oxobutan-2-yl]amino]-3-carboxy-1-oxopropan-2-yl]carbamoyl]pyrrolidin-1-yl]-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-3-[[2-[[2-[[2-amino-3-(1H-imidazol-4-yl)propanoyl]amino]acetyl]amino]-3-methylbutanoyl]amino]-4-oxobutan-2-yl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-5-hydroxy-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)-5-acetamido-2-[(2R,5R,6S)-3-acetamido-2-[(2S,5R,6S)-3-acetamido-2-[4-[[1-[[1-[2-[[1-[[3-[(2S,5R,6S)-3-acetamido-4-[(2R,5S,6S)-3-acetamido-5-[(2S,5S,6S)-4-[(2S,5S)-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-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1-[[1-[2-[[1-(2-acetylpyrrolidin-1-yl)-1-oxopropan-2-yl]carbamoyl]pyrrolidin-1-yl]-5-carbamimidamido-1-oxopentan-2-yl]amino]-1-oxobutan-2-yl]amino]-3-carboxy-1-oxopropan-2-yl]carbamoyl]pyrrolidin-1-yl]-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-3-[[2-[[2-[[2-amino-3-(1H-imidazol-4-yl)propanoyl]amino]acetyl]amino]-3-methylbutanoyl]amino]-4-oxobutan-2-yl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-5-hydroxy-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](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)C2NC(C)=O)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@@H]3O[C@@H](CO)[C@H](O)C(O[C@]4(C(=O)O)CC(O)[C@H](NC(C)=O)C([C@H](O)[C@H](O)CO)O4)C3O)C(O)C2NC(C)=O)C1NC(C)=O)C(=O)N1CCCC1C(=O)NC(C)C(=O)N1CCCC1C(C)=O.

What is the InChIKey of (2S,5S)-5-acetamido-2-[(2R,5R,6S)-3-acetamido-2-[(2S,5R,6S)-3-acetamido-2-[4-[[1-[[1-[2-[[1-[[3-[(2S,5R,6S)-3-acetamido-4-[(2R,5S,6S)-3-acetamido-5-[(2S,5S,6S)-4-[(2S,5S)-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-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1-[[1-[2-[[1-(2-acetylpyrrolidin-1-yl)-1-oxopropan-2-yl]carbamoyl]pyrrolidin-1-yl]-5-carbamimidamido-1-oxopentan-2-yl]amino]-1-oxobutan-2-yl]amino]-3-carboxy-1-oxopropan-2-yl]carbamoyl]pyrrolidin-1-yl]-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-3-[[2-[[2-[[2-amino-3-(1H-imidazol-4-yl)propanoyl]amino]acetyl]amino]-3-methylbutanoyl]amino]-4-oxobutan-2-yl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid?

The InChIKey is UNRXRVUBFIXVMW-CCEVUMBGSA-N. The full InChI is InChI=1S/C116H186N24O59/c1-41(2)72(135-70(160)31-122-96(171)54(117)26-53-30-120-40-123-53)101(176)137-74(46(7)187-109-79(130-51(12)154)91(84(166)66(36-145)189-109)195-110-80(131-52(13)155)94(85(167)67(37-146)190-110)198-115(112(182)183)28-61(156)75(126-47(8)150)92(196-115)81(163)63(158)33-142)103(178)134-57(32-141)98(173)124-42(3)105(180)139-24-16-21-60(139)100(175)133-56(27-71(161)162)97(172)136-73(102(177)132-55(18-14-22-121-114(118)119)106(181)140-25-17-20-59(140)99(174)125-43(4)104(179)138-23-15-19-58(138)44(5)149)45(6)186-108-78(129-50(11)153)90(83(165)65(35-144)188-108)194-107-77(128-49(10)152)87(169)89(69(39-148)192-107)193-111-88(170)95(86(168)68(38-147)191-111)199-116(113(184)185)29-62(157)76(127-48(9)151)93(197-116)82(164)64(159)34-143/h30,40-43,45-46,54-69,72-95,107-111,141-148,156-159,163-170H,14-29,31-39,117H2,1-13H3,(H,120,123)(H,122,171)(H,124,173)(H,125,174)(H,126,150)(H,127,151)(H,128,152)(H,129,153)(H,130,154)(H,131,155)(H,132,177)(H,133,175)(H,134,178)(H,135,160)(H,136,172)(H,137,176)(H,161,162)(H,182,183)(H,184,185)(H4,118,119,121)/t42?,43?,45?,46?,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?,107+,108+,109+,110+,111+,115+,116+/m1/s1.

What are the key properties of (2S,5S)-5-acetamido-2-[(2R,5R,6S)-3-acetamido-2-[(2S,5R,6S)-3-acetamido-2-[4-[[1-[[1-[2-[[1-[[3-[(2S,5R,6S)-3-acetamido-4-[(2R,5S,6S)-3-acetamido-5-[(2S,5S,6S)-4-[(2S,5S)-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-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1-[[1-[2-[[1-(2-acetylpyrrolidin-1-yl)-1-oxopropan-2-yl]carbamoyl]pyrrolidin-1-yl]-5-carbamimidamido-1-oxopentan-2-yl]amino]-1-oxobutan-2-yl]amino]-3-carboxy-1-oxopropan-2-yl]carbamoyl]pyrrolidin-1-yl]-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-3-[[2-[[2-[[2-amino-3-(1H-imidazol-4-yl)propanoyl]amino]acetyl]amino]-3-methylbutanoyl]amino]-4-oxobutan-2-yl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid?

(2S,5S)-5-acetamido-2-[(2R,5R,6S)-3-acetamido-2-[(2S,5R,6S)-3-acetamido-2-[4-[[1-[[1-[2-[[1-[[3-[(2S,5R,6S)-3-acetamido-4-[(2R,5S,6S)-3-acetamido-5-[(2S,5S,6S)-4-[(2S,5S)-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-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1-[[1-[2-[[1-(2-acetylpyrrolidin-1-yl)-1-oxopropan-2-yl]carbamoyl]pyrrolidin-1-yl]-5-carbamimidamido-1-oxopentan-2-yl]amino]-1-oxobutan-2-yl]amino]-3-carboxy-1-oxopropan-2-yl]carbamoyl]pyrrolidin-1-yl]-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-3-[[2-[[2-[[2-amino-3-(1H-imidazol-4-yl)propanoyl]amino]acetyl]amino]-3-methylbutanoyl]amino]-4-oxobutan-2-yl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid has a molecular weight of 2860.87 g/mol, XLogP of -23.93, 67 rotatable bonds, 43 hydrogen bond donors, and 59 hydrogen bond acceptors.

Where does this data come from?

All data for (2S,5S)-5-acetamido-2-[(2R,5R,6S)-3-acetamido-2-[(2S,5R,6S)-3-acetamido-2-[4-[[1-[[1-[2-[[1-[[3-[(2S,5R,6S)-3-acetamido-4-[(2R,5S,6S)-3-acetamido-5-[(2S,5S,6S)-4-[(2S,5S)-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-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1-[[1-[2-[[1-(2-acetylpyrrolidin-1-yl)-1-oxopropan-2-yl]carbamoyl]pyrrolidin-1-yl]-5-carbamimidamido-1-oxopentan-2-yl]amino]-1-oxobutan-2-yl]amino]-3-carboxy-1-oxopropan-2-yl]carbamoyl]pyrrolidin-1-yl]-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-3-[[2-[[2-[[2-amino-3-(1H-imidazol-4-yl)propanoyl]amino]acetyl]amino]-3-methylbutanoyl]amino]-4-oxobutan-2-yl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid is sourced from PubChem (CID 140541075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).