(2S,5R,6R)-5-acetamido-2-[(2S,5S,6S)-2-[(2S,3S,6R)-5-acetamido-6-[[(2S,3R,6S)-5-acetamido-6-[4-[[1-[[1-[2-[[1-[[3-[(2S,5R,6S)-3-acetamido-4-[(2R,5S,6S)-3-acetamido-5-[(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-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1-[[5-carbamimidamido-1-oxo-1-[2-(3-oxobutan-2-ylcarbamoyl)pyrrolidin-1-yl]pentan-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-5-yl)propanoyl]amino]acetyl]amino]-3-methylbutanoyl]amino]-4-oxobutan-2-yl]oxy-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-3-hydroxyoxan-2-yl]methoxy]-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid

C134H216N24O76 — CID 91135219

About (2S,5R,6R)-5-acetamido-2-[(2S,5S,6S)-2-[(2S,3S,6R)-5-acetamido-6-[[(2S,3R,6S)-5-acetamido-6-[4-[[1-[[1-[2-[[1-[[3-[(2S,5R,6S)-3-acetamido-4-[(2R,5S,6S)-3-acetamido-5-[(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-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1-[[5-carbamimidamido-1-oxo-1-[2-(3-oxobutan-2-ylcarbamoyl)pyrrolidin-1-yl]pentan-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-5-yl)propanoyl]amino]acetyl]amino]-3-methylbutanoyl]amino]-4-oxobutan-2-yl]oxy-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-3-hydroxyoxan-2-yl]methoxy]-4-hydroxy-2-(hydroxymethyl)oxan-3-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,6R)-5-acetamido-2-[(2S,5S,6S)-2-[(2S,3S,6R)-5-acetamido-6-[[(2S,3R,6S)-5-acetamido-6-[4-[[1-[[1-[2-[[1-[[3-[(2S,5R,6S)-3-acetamido-4-[(2R,5S,6S)-3-acetamido-5-[(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-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1-[[5-carbamimidamido-1-oxo-1-[2-(3-oxobutan-2-ylcarbamoyl)pyrrolidin-1-yl]pentan-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-5-yl)propanoyl]amino]acetyl]amino]-3-methylbutanoyl]amino]-4-oxobutan-2-yl]oxy-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-3-hydroxyoxan-2-yl]methoxy]-4-hydroxy-2-(hydroxymethyl)oxan-3-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 91135219) has the molecular formula C134H216N24O76 and a molecular weight of 3379.29 g/mol. Its IUPAC name is (2S,5R,6R)-5-acetamido-2-[(2S,5S,6S)-2-[(2S,3S,6R)-5-acetamido-6-[[(2S,3R,6S)-5-acetamido-6-[4-[[1-[[1-[2-[[1-[[3-[(2S,5R,6S)-3-acetamido-4-[(2R,5S,6S)-3-acetamido-5-[(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-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1-[[5-carbamimidamido-1-oxo-1-[2-(3-oxobutan-2-ylcarbamoyl)pyrrolidin-1-yl]pentan-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-5-yl)propanoyl]amino]acetyl]amino]-3-methylbutanoyl]amino]-4-oxobutan-2-yl]oxy-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-3-hydroxyoxan-2-yl]methoxy]-4-hydroxy-2-(hydroxymethyl)oxan-3-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,6R)-5-acetamido-2-[(2S,5S,6S)-2-[(2S,3S,6R)-5-acetamido-6-[[(2S,3R,6S)-5-acetamido-6-[4-[[1-[[1-[2-[[1-[[3-[(2S,5R,6S)-3-acetamido-4-[(2R,5S,6S)-3-acetamido-5-[(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-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1-[[5-carbamimidamido-1-oxo-1-[2-(3-oxobutan-2-ylcarbamoyl)pyrrolidin-1-yl]pentan-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-5-yl)propanoyl]amino]acetyl]amino]-3-methylbutanoyl]amino]-4-oxobutan-2-yl]oxy-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-3-hydroxyoxan-2-yl]methoxy]-4-hydroxy-2-(hydroxymethyl)oxan-3-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: 91135219
• Molecular Formula: C134H216N24O76
• Molecular Weight: 3379.29 g/mol
• Exact Mass: 3377.38
• IUPAC Name: (2S,5R,6R)-5-acetamido-2-[(2S,5S,6S)-2-[(2S,3S,6R)-5-acetamido-6-[[(2S,3R,6S)-5-acetamido-6-[4-[[1-[[1-[2-[[1-[[3-[(2S,5R,6S)-3-acetamido-4-[(2R,5S,6S)-3-acetamido-5-[(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-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1-[[5-carbamimidamido-1-oxo-1-[2-(3-oxobutan-2-ylcarbamoyl)pyrrolidin-1-yl]pentan-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-5-yl)propanoyl]amino]acetyl]amino]-3-methylbutanoyl]amino]-4-oxobutan-2-yl]oxy-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-3-hydroxyoxan-2-yl]methoxy]-4-hydroxy-2-(hydroxymethyl)oxan-3-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)Cc1cnc[nH]1)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[C@]4(C(=O)O)CC(O)[C@@H](NC(C)=O)[C@H]([C@H](O)[C@H](O)CO)O4)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@@H]3O[C@@H](CO)[C@H](O)C(O[C@]4(C(=O)O)CC(O)[C@@H](NC(C)=O)[C@H]([C@H](O)[C@H](O)CO)O4)C3O)C(O)C2NC(C)=O)C1NC(C)=O)C(=O)N1CCCC1C(=O)NC(C)C(C)=O
• InChI: InChI=1S/C134H216N24O76/c1-43(2)78(154-76(183)30-140-111(199)57(135)24-56-29-138-42-141-56)116(204)156-80(48(7)217-124-87(150-55(14)176)104(228-127-100(198)110(94(192)72(38-166)221-127)234-134(130(213)214)28-65(179)83(146-51(10)172)107(231-134)90(188)68(182)34-162)95(193)75(224-124)41-215-121-84(147-52(11)173)96(194)101(73(39-167)222-121)225-125-98(196)108(92(190)70(36-164)219-125)232-132(128(209)210)26-63(177)81(144-49(8)170)105(229-132)88(186)66(180)32-160)118(206)153-60(31-159)113(201)143-45(4)119(207)157-22-16-20-62(157)115(203)152-59(25-77(184)185)112(200)155-79(117(205)151-58(18-15-21-139-131(136)137)120(208)158-23-17-19-61(158)114(202)142-44(3)46(5)169)47(6)216-123-86(149-54(13)175)103(91(189)69(35-163)218-123)227-122-85(148-53(12)174)97(195)102(74(40-168)223-122)226-126-99(197)109(93(191)71(37-165)220-126)233-133(129(211)212)27-64(178)82(145-50(9)171)106(230-133)89(187)67(181)33-161/h29,42-45,47-48,57-75,78-110,121-127,159-168,177-182,186-198H,15-28,30-41,135H2,1-14H3,(H,138,141)(H,140,199)(H,142,202)(H,143,201)(H,144,170)(H,145,171)(H,146,172)(H,147,173)(H,148,174)(H,149,175)(H,150,176)(H,151,205)(H,152,203)(H,153,206)(H,154,183)(H,155,200)(H,156,204)(H,184,185)(H,209,210)(H,211,212)(H,213,214)(H4,136,137,139)/t44?,45?,47?,48?,57?,58?,59?,60?,61?,62?,63?,64?,65?,66-,67-,68-,69+,70+,71+,72+,73+,74+,75+,78?,79?,80?,81-,82-,83-,84?,85?,86?,87?,88-,89-,90-,91+,92+,93+,94+,95+,96?,97?,98?,99?,100?,101-,102-,103?,104?,105-,106-,107-,108?,109?,110?,121-,122+,123+,124+,125+,126+,127+,132+,133+,134+/m1/s1
• InChIKey: NQVCSIDRLPAOJE-FCMPKGPZSA-N
• XLogP: -31.10
• TPSA: 1560.36 Ų
• H-Bond Donors: 54
• H-Bond Acceptors: 75
• Rotatable Bonds: 79
• Heavy Atoms: 234
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3379.29
LogP ≤ 5	-31.10
H-Bond Donors ≤ 5	54
H-Bond Acceptors ≤ 10	75

Frequently Asked Questions

What is the IUPAC name of (2S,5R,6R)-5-acetamido-2-[(2S,5S,6S)-2-[(2S,3S,6R)-5-acetamido-6-[[(2S,3R,6S)-5-acetamido-6-[4-[[1-[[1-[2-[[1-[[3-[(2S,5R,6S)-3-acetamido-4-[(2R,5S,6S)-3-acetamido-5-[(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-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1-[[5-carbamimidamido-1-oxo-1-[2-(3-oxobutan-2-ylcarbamoyl)pyrrolidin-1-yl]pentan-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-5-yl)propanoyl]amino]acetyl]amino]-3-methylbutanoyl]amino]-4-oxobutan-2-yl]oxy-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-3-hydroxyoxan-2-yl]methoxy]-4-hydroxy-2-(hydroxymethyl)oxan-3-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,6R)-5-acetamido-2-[(2S,5S,6S)-2-[(2S,3S,6R)-5-acetamido-6-[[(2S,3R,6S)-5-acetamido-6-[4-[[1-[[1-[2-[[1-[[3-[(2S,5R,6S)-3-acetamido-4-[(2R,5S,6S)-3-acetamido-5-[(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-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1-[[5-carbamimidamido-1-oxo-1-[2-(3-oxobutan-2-ylcarbamoyl)pyrrolidin-1-yl]pentan-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-5-yl)propanoyl]amino]acetyl]amino]-3-methylbutanoyl]amino]-4-oxobutan-2-yl]oxy-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-3-hydroxyoxan-2-yl]methoxy]-4-hydroxy-2-(hydroxymethyl)oxan-3-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 91135219) is (2S,5R,6R)-5-acetamido-2-[(2S,5S,6S)-2-[(2S,3S,6R)-5-acetamido-6-[[(2S,3R,6S)-5-acetamido-6-[4-[[1-[[1-[2-[[1-[[3-[(2S,5R,6S)-3-acetamido-4-[(2R,5S,6S)-3-acetamido-5-[(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-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1-[[5-carbamimidamido-1-oxo-1-[2-(3-oxobutan-2-ylcarbamoyl)pyrrolidin-1-yl]pentan-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-5-yl)propanoyl]amino]acetyl]amino]-3-methylbutanoyl]amino]-4-oxobutan-2-yl]oxy-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-3-hydroxyoxan-2-yl]methoxy]-4-hydroxy-2-(hydroxymethyl)oxan-3-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,6R)-5-acetamido-2-[(2S,5S,6S)-2-[(2S,3S,6R)-5-acetamido-6-[[(2S,3R,6S)-5-acetamido-6-[4-[[1-[[1-[2-[[1-[[3-[(2S,5R,6S)-3-acetamido-4-[(2R,5S,6S)-3-acetamido-5-[(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-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1-[[5-carbamimidamido-1-oxo-1-[2-(3-oxobutan-2-ylcarbamoyl)pyrrolidin-1-yl]pentan-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-5-yl)propanoyl]amino]acetyl]amino]-3-methylbutanoyl]amino]-4-oxobutan-2-yl]oxy-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-3-hydroxyoxan-2-yl]methoxy]-4-hydroxy-2-(hydroxymethyl)oxan-3-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,6R)-5-acetamido-2-[(2S,5S,6S)-2-[(2S,3S,6R)-5-acetamido-6-[[(2S,3R,6S)-5-acetamido-6-[4-[[1-[[1-[2-[[1-[[3-[(2S,5R,6S)-3-acetamido-4-[(2R,5S,6S)-3-acetamido-5-[(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-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1-[[5-carbamimidamido-1-oxo-1-[2-(3-oxobutan-2-ylcarbamoyl)pyrrolidin-1-yl]pentan-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-5-yl)propanoyl]amino]acetyl]amino]-3-methylbutanoyl]amino]-4-oxobutan-2-yl]oxy-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-3-hydroxyoxan-2-yl]methoxy]-4-hydroxy-2-(hydroxymethyl)oxan-3-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)Cc1cnc[nH]1)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[C@]4(C(=O)O)CC(O)[C@@H](NC(C)=O)[C@H]([C@H](O)[C@H](O)CO)O4)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@@H]3O[C@@H](CO)[C@H](O)C(O[C@]4(C(=O)O)CC(O)[C@@H](NC(C)=O)[C@H]([C@H](O)[C@H](O)CO)O4)C3O)C(O)C2NC(C)=O)C1NC(C)=O)C(=O)N1CCCC1C(=O)NC(C)C(C)=O.

What is the InChIKey of (2S,5R,6R)-5-acetamido-2-[(2S,5S,6S)-2-[(2S,3S,6R)-5-acetamido-6-[[(2S,3R,6S)-5-acetamido-6-[4-[[1-[[1-[2-[[1-[[3-[(2S,5R,6S)-3-acetamido-4-[(2R,5S,6S)-3-acetamido-5-[(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-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1-[[5-carbamimidamido-1-oxo-1-[2-(3-oxobutan-2-ylcarbamoyl)pyrrolidin-1-yl]pentan-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-5-yl)propanoyl]amino]acetyl]amino]-3-methylbutanoyl]amino]-4-oxobutan-2-yl]oxy-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-3-hydroxyoxan-2-yl]methoxy]-4-hydroxy-2-(hydroxymethyl)oxan-3-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 NQVCSIDRLPAOJE-FCMPKGPZSA-N. The full InChI is InChI=1S/C134H216N24O76/c1-43(2)78(154-76(183)30-140-111(199)57(135)24-56-29-138-42-141-56)116(204)156-80(48(7)217-124-87(150-55(14)176)104(228-127-100(198)110(94(192)72(38-166)221-127)234-134(130(213)214)28-65(179)83(146-51(10)172)107(231-134)90(188)68(182)34-162)95(193)75(224-124)41-215-121-84(147-52(11)173)96(194)101(73(39-167)222-121)225-125-98(196)108(92(190)70(36-164)219-125)232-132(128(209)210)26-63(177)81(144-49(8)170)105(229-132)88(186)66(180)32-160)118(206)153-60(31-159)113(201)143-45(4)119(207)157-22-16-20-62(157)115(203)152-59(25-77(184)185)112(200)155-79(117(205)151-58(18-15-21-139-131(136)137)120(208)158-23-17-19-61(158)114(202)142-44(3)46(5)169)47(6)216-123-86(149-54(13)175)103(91(189)69(35-163)218-123)227-122-85(148-53(12)174)97(195)102(74(40-168)223-122)226-126-99(197)109(93(191)71(37-165)220-126)233-133(129(211)212)27-64(178)82(145-50(9)171)106(230-133)89(187)67(181)33-161/h29,42-45,47-48,57-75,78-110,121-127,159-168,177-182,186-198H,15-28,30-41,135H2,1-14H3,(H,138,141)(H,140,199)(H,142,202)(H,143,201)(H,144,170)(H,145,171)(H,146,172)(H,147,173)(H,148,174)(H,149,175)(H,150,176)(H,151,205)(H,152,203)(H,153,206)(H,154,183)(H,155,200)(H,156,204)(H,184,185)(H,209,210)(H,211,212)(H,213,214)(H4,136,137,139)/t44?,45?,47?,48?,57?,58?,59?,60?,61?,62?,63?,64?,65?,66-,67-,68-,69+,70+,71+,72+,73+,74+,75+,78?,79?,80?,81-,82-,83-,84?,85?,86?,87?,88-,89-,90-,91+,92+,93+,94+,95+,96?,97?,98?,99?,100?,101-,102-,103?,104?,105-,106-,107-,108?,109?,110?,121-,122+,123+,124+,125+,126+,127+,132+,133+,134+/m1/s1.

What are the key properties of (2S,5R,6R)-5-acetamido-2-[(2S,5S,6S)-2-[(2S,3S,6R)-5-acetamido-6-[[(2S,3R,6S)-5-acetamido-6-[4-[[1-[[1-[2-[[1-[[3-[(2S,5R,6S)-3-acetamido-4-[(2R,5S,6S)-3-acetamido-5-[(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-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1-[[5-carbamimidamido-1-oxo-1-[2-(3-oxobutan-2-ylcarbamoyl)pyrrolidin-1-yl]pentan-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-5-yl)propanoyl]amino]acetyl]amino]-3-methylbutanoyl]amino]-4-oxobutan-2-yl]oxy-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-3-hydroxyoxan-2-yl]methoxy]-4-hydroxy-2-(hydroxymethyl)oxan-3-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,6R)-5-acetamido-2-[(2S,5S,6S)-2-[(2S,3S,6R)-5-acetamido-6-[[(2S,3R,6S)-5-acetamido-6-[4-[[1-[[1-[2-[[1-[[3-[(2S,5R,6S)-3-acetamido-4-[(2R,5S,6S)-3-acetamido-5-[(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-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1-[[5-carbamimidamido-1-oxo-1-[2-(3-oxobutan-2-ylcarbamoyl)pyrrolidin-1-yl]pentan-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-5-yl)propanoyl]amino]acetyl]amino]-3-methylbutanoyl]amino]-4-oxobutan-2-yl]oxy-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-3-hydroxyoxan-2-yl]methoxy]-4-hydroxy-2-(hydroxymethyl)oxan-3-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 3379.29 g/mol, XLogP of -31.10, 79 rotatable bonds, 54 hydrogen bond donors, and 75 hydrogen bond acceptors.

Where does this data come from?

All data for (2S,5R,6R)-5-acetamido-2-[(2S,5S,6S)-2-[(2S,3S,6R)-5-acetamido-6-[[(2S,3R,6S)-5-acetamido-6-[4-[[1-[[1-[2-[[1-[[3-[(2S,5R,6S)-3-acetamido-4-[(2R,5S,6S)-3-acetamido-5-[(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-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1-[[5-carbamimidamido-1-oxo-1-[2-(3-oxobutan-2-ylcarbamoyl)pyrrolidin-1-yl]pentan-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-5-yl)propanoyl]amino]acetyl]amino]-3-methylbutanoyl]amino]-4-oxobutan-2-yl]oxy-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-3-hydroxyoxan-2-yl]methoxy]-4-hydroxy-2-(hydroxymethyl)oxan-3-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 91135219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).