5-[[1-[[2-[[1-[[1-[[1-[[1-[2-[[1-[[3-[(2S,5R,6S)-3-acetamido-4-[(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]oxy-5-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1-[[5-carbamimidamido-1-oxo-1-[2-(propan-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-[(2S,5R,6S)-3-acetamido-5-hydroxy-6-(hydroxymethyl)-4-[(2S,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-1-oxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-2-oxoethyl]amino]-3-(1H-imidazol-4-yl)-1-oxopropan-2-yl]amino]-4-[[2-[[(5Z)-5-[6-[(5-amino-2-ethyl-4-methyl-5-oxopentanoyl)amino]hexoxyimino]hexanoyl]amino]-3-phenylpropanoyl]amino]-5-oxopentanoic acid

C120H193N25O49 — CID 91000289

About 5-[[1-[[2-[[1-[[1-[[1-[[1-[2-[[1-[[3-[(2S,5R,6S)-3-acetamido-4-[(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]oxy-5-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1-[[5-carbamimidamido-1-oxo-1-[2-(propan-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-[(2S,5R,6S)-3-acetamido-5-hydroxy-6-(hydroxymethyl)-4-[(2S,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-1-oxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-2-oxoethyl]amino]-3-(1H-imidazol-4-yl)-1-oxopropan-2-yl]amino]-4-[[2-[[(5Z)-5-[6-[(5-amino-2-ethyl-4-methyl-5-oxopentanoyl)amino]hexoxyimino]hexanoyl]amino]-3-phenylpropanoyl]amino]-5-oxopentanoic acid

5-[[1-[[2-[[1-[[1-[[1-[[1-[2-[[1-[[3-[(2S,5R,6S)-3-acetamido-4-[(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]oxy-5-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1-[[5-carbamimidamido-1-oxo-1-[2-(propan-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-[(2S,5R,6S)-3-acetamido-5-hydroxy-6-(hydroxymethyl)-4-[(2S,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-1-oxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-2-oxoethyl]amino]-3-(1H-imidazol-4-yl)-1-oxopropan-2-yl]amino]-4-[[2-[[(5Z)-5-[6-[(5-amino-2-ethyl-4-methyl-5-oxopentanoyl)amino]hexoxyimino]hexanoyl]amino]-3-phenylpropanoyl]amino]-5-oxopentanoic acid (PubChem CID 91000289) has the molecular formula C120H193N25O49 and a molecular weight of 2769.99 g/mol. Its IUPAC name is 5-[[1-[[2-[[1-[[1-[[1-[[1-[2-[[1-[[3-[(2S,5R,6S)-3-acetamido-4-[(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]oxy-5-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1-[[5-carbamimidamido-1-oxo-1-[2-(propan-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-[(2S,5R,6S)-3-acetamido-5-hydroxy-6-(hydroxymethyl)-4-[(2S,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-1-oxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-2-oxoethyl]amino]-3-(1H-imidazol-4-yl)-1-oxopropan-2-yl]amino]-4-[[2-[[(5Z)-5-[6-[(5-amino-2-ethyl-4-methyl-5-oxopentanoyl)amino]hexoxyimino]hexanoyl]amino]-3-phenylpropanoyl]amino]-5-oxopentanoic acid.

Molecular Properties

• Compound Name: 5-[[1-[[2-[[1-[[1-[[1-[[1-[2-[[1-[[3-[(2S,5R,6S)-3-acetamido-4-[(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]oxy-5-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1-[[5-carbamimidamido-1-oxo-1-[2-(propan-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-[(2S,5R,6S)-3-acetamido-5-hydroxy-6-(hydroxymethyl)-4-[(2S,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-1-oxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-2-oxoethyl]amino]-3-(1H-imidazol-4-yl)-1-oxopropan-2-yl]amino]-4-[[2-[[(5Z)-5-[6-[(5-amino-2-ethyl-4-methyl-5-oxopentanoyl)amino]hexoxyimino]hexanoyl]amino]-3-phenylpropanoyl]amino]-5-oxopentanoic acid
• PubChem CID: 91000289
• Molecular Formula: C120H193N25O49
• Molecular Weight: 2769.99 g/mol
• Exact Mass: 2768.34
• IUPAC Name: 5-[[1-[[2-[[1-[[1-[[1-[[1-[2-[[1-[[3-[(2S,5R,6S)-3-acetamido-4-[(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]oxy-5-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1-[[5-carbamimidamido-1-oxo-1-[2-(propan-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-[(2S,5R,6S)-3-acetamido-5-hydroxy-6-(hydroxymethyl)-4-[(2S,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-1-oxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-2-oxoethyl]amino]-3-(1H-imidazol-4-yl)-1-oxopropan-2-yl]amino]-4-[[2-[[(5Z)-5-[6-[(5-amino-2-ethyl-4-methyl-5-oxopentanoyl)amino]hexoxyimino]hexanoyl]amino]-3-phenylpropanoyl]amino]-5-oxopentanoic 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](O)C(O[C@@H]2O[C@@H](CO)[C@H](O)C(O)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)C3O)C(O)C2NC(C)=O)C1NC(C)=O)C(=O)N1CCCC1C(=O)NC(C)C
• InChI: InChI=1S/C120H193N25O49/c1-14-64(40-55(6)101(121)170)102(171)125-35-20-15-16-21-39-184-143-56(7)26-22-32-79(155)134-68(41-63-27-18-17-19-28-63)105(174)135-66(33-34-81(157)158)104(173)137-69(42-65-44-124-52-128-65)103(172)127-45-80(156)140-83(53(2)3)110(179)142-85(59(10)186-117-88(133-62(13)154)100(92(164)77(50-150)188-117)194-119-97(169)95(167)90(162)75(48-148)190-119)112(181)139-71(46-146)107(176)130-57(8)113(182)144-37-24-31-73(144)109(178)138-70(43-82(159)160)106(175)141-84(111(180)136-67(29-23-36-126-120(122)123)114(183)145-38-25-30-72(145)108(177)129-54(4)5)58(9)185-116-87(132-61(12)153)99(91(163)76(49-149)187-116)193-115-86(131-60(11)152)93(165)98(78(51-151)191-115)192-118-96(168)94(166)89(161)74(47-147)189-118/h17-19,27-28,44,52-55,57-59,64,66-78,83-100,115-119,146-151,161-169H,14-16,20-26,29-43,45-51H2,1-13H3,(H2,121,170)(H,124,128)(H,125,171)(H,127,172)(H,129,177)(H,130,176)(H,131,152)(H,132,153)(H,133,154)(H,134,155)(H,135,174)(H,136,180)(H,137,173)(H,138,178)(H,139,181)(H,140,156)(H,141,175)(H,142,179)(H,157,158)(H,159,160)(H4,122,123,126)/b143-56-/t55?,57?,58?,59?,64?,66?,67?,68?,69?,70?,71?,72?,73?,74-,75-,76-,77-,78-,83?,84?,85?,86?,87?,88?,89-,90-,91-,92-,93?,94?,95?,96?,97?,98+,99?,100?,115-,116-,117-,118-,119-/m0/s1
• InChIKey: KWBIUFFUEBABMI-WZTJDWLDSA-N
• XLogP: -14.97
• TPSA: 1131.83 Ų
• H-Bond Donors: 38
• H-Bond Acceptors: 50
• Rotatable Bonds: 77
• Heavy Atoms: 194
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2769.99
LogP ≤ 5	-14.97
H-Bond Donors ≤ 5	38
H-Bond Acceptors ≤ 10	50

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'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-[[1-[[2-[[1-[[1-[[1-[[1-[2-[[1-[[3-[(2S,5R,6S)-3-acetamido-4-[(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]oxy-5-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1-[[5-carbamimidamido-1-oxo-1-[2-(propan-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-[(2S,5R,6S)-3-acetamido-5-hydroxy-6-(hydroxymethyl)-4-[(2S,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-1-oxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-2-oxoethyl]amino]-3-(1H-imidazol-4-yl)-1-oxopropan-2-yl]amino]-4-[[2-[[(5Z)-5-[6-[(5-amino-2-ethyl-4-methyl-5-oxopentanoyl)amino]hexoxyimino]hexanoyl]amino]-3-phenylpropanoyl]amino]-5-oxopentanoic acid?

The IUPAC name of 5-[[1-[[2-[[1-[[1-[[1-[[1-[2-[[1-[[3-[(2S,5R,6S)-3-acetamido-4-[(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]oxy-5-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1-[[5-carbamimidamido-1-oxo-1-[2-(propan-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-[(2S,5R,6S)-3-acetamido-5-hydroxy-6-(hydroxymethyl)-4-[(2S,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-1-oxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-2-oxoethyl]amino]-3-(1H-imidazol-4-yl)-1-oxopropan-2-yl]amino]-4-[[2-[[(5Z)-5-[6-[(5-amino-2-ethyl-4-methyl-5-oxopentanoyl)amino]hexoxyimino]hexanoyl]amino]-3-phenylpropanoyl]amino]-5-oxopentanoic acid (CID 91000289) is 5-[[1-[[2-[[1-[[1-[[1-[[1-[2-[[1-[[3-[(2S,5R,6S)-3-acetamido-4-[(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]oxy-5-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1-[[5-carbamimidamido-1-oxo-1-[2-(propan-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-[(2S,5R,6S)-3-acetamido-5-hydroxy-6-(hydroxymethyl)-4-[(2S,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-1-oxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-2-oxoethyl]amino]-3-(1H-imidazol-4-yl)-1-oxopropan-2-yl]amino]-4-[[2-[[(5Z)-5-[6-[(5-amino-2-ethyl-4-methyl-5-oxopentanoyl)amino]hexoxyimino]hexanoyl]amino]-3-phenylpropanoyl]amino]-5-oxopentanoic acid.

What is the SMILES notation for 5-[[1-[[2-[[1-[[1-[[1-[[1-[2-[[1-[[3-[(2S,5R,6S)-3-acetamido-4-[(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]oxy-5-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1-[[5-carbamimidamido-1-oxo-1-[2-(propan-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-[(2S,5R,6S)-3-acetamido-5-hydroxy-6-(hydroxymethyl)-4-[(2S,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-1-oxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-2-oxoethyl]amino]-3-(1H-imidazol-4-yl)-1-oxopropan-2-yl]amino]-4-[[2-[[(5Z)-5-[6-[(5-amino-2-ethyl-4-methyl-5-oxopentanoyl)amino]hexoxyimino]hexanoyl]amino]-3-phenylpropanoyl]amino]-5-oxopentanoic acid?

The canonical SMILES for 5-[[1-[[2-[[1-[[1-[[1-[[1-[2-[[1-[[3-[(2S,5R,6S)-3-acetamido-4-[(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]oxy-5-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1-[[5-carbamimidamido-1-oxo-1-[2-(propan-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-[(2S,5R,6S)-3-acetamido-5-hydroxy-6-(hydroxymethyl)-4-[(2S,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-1-oxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-2-oxoethyl]amino]-3-(1H-imidazol-4-yl)-1-oxopropan-2-yl]amino]-4-[[2-[[(5Z)-5-[6-[(5-amino-2-ethyl-4-methyl-5-oxopentanoyl)amino]hexoxyimino]hexanoyl]amino]-3-phenylpropanoyl]amino]-5-oxopentanoic 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](O)C(O[C@@H]2O[C@@H](CO)[C@H](O)C(O)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)C3O)C(O)C2NC(C)=O)C1NC(C)=O)C(=O)N1CCCC1C(=O)NC(C)C.

What is the InChIKey of 5-[[1-[[2-[[1-[[1-[[1-[[1-[2-[[1-[[3-[(2S,5R,6S)-3-acetamido-4-[(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]oxy-5-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1-[[5-carbamimidamido-1-oxo-1-[2-(propan-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-[(2S,5R,6S)-3-acetamido-5-hydroxy-6-(hydroxymethyl)-4-[(2S,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-1-oxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-2-oxoethyl]amino]-3-(1H-imidazol-4-yl)-1-oxopropan-2-yl]amino]-4-[[2-[[(5Z)-5-[6-[(5-amino-2-ethyl-4-methyl-5-oxopentanoyl)amino]hexoxyimino]hexanoyl]amino]-3-phenylpropanoyl]amino]-5-oxopentanoic acid?

The InChIKey is KWBIUFFUEBABMI-WZTJDWLDSA-N. The full InChI is InChI=1S/C120H193N25O49/c1-14-64(40-55(6)101(121)170)102(171)125-35-20-15-16-21-39-184-143-56(7)26-22-32-79(155)134-68(41-63-27-18-17-19-28-63)105(174)135-66(33-34-81(157)158)104(173)137-69(42-65-44-124-52-128-65)103(172)127-45-80(156)140-83(53(2)3)110(179)142-85(59(10)186-117-88(133-62(13)154)100(92(164)77(50-150)188-117)194-119-97(169)95(167)90(162)75(48-148)190-119)112(181)139-71(46-146)107(176)130-57(8)113(182)144-37-24-31-73(144)109(178)138-70(43-82(159)160)106(175)141-84(111(180)136-67(29-23-36-126-120(122)123)114(183)145-38-25-30-72(145)108(177)129-54(4)5)58(9)185-116-87(132-61(12)153)99(91(163)76(49-149)187-116)193-115-86(131-60(11)152)93(165)98(78(51-151)191-115)192-118-96(168)94(166)89(161)74(47-147)189-118/h17-19,27-28,44,52-55,57-59,64,66-78,83-100,115-119,146-151,161-169H,14-16,20-26,29-43,45-51H2,1-13H3,(H2,121,170)(H,124,128)(H,125,171)(H,127,172)(H,129,177)(H,130,176)(H,131,152)(H,132,153)(H,133,154)(H,134,155)(H,135,174)(H,136,180)(H,137,173)(H,138,178)(H,139,181)(H,140,156)(H,141,175)(H,142,179)(H,157,158)(H,159,160)(H4,122,123,126)/b143-56-/t55?,57?,58?,59?,64?,66?,67?,68?,69?,70?,71?,72?,73?,74-,75-,76-,77-,78-,83?,84?,85?,86?,87?,88?,89-,90-,91-,92-,93?,94?,95?,96?,97?,98+,99?,100?,115-,116-,117-,118-,119-/m0/s1.

What are the key properties of 5-[[1-[[2-[[1-[[1-[[1-[[1-[2-[[1-[[3-[(2S,5R,6S)-3-acetamido-4-[(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]oxy-5-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1-[[5-carbamimidamido-1-oxo-1-[2-(propan-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-[(2S,5R,6S)-3-acetamido-5-hydroxy-6-(hydroxymethyl)-4-[(2S,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-1-oxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-2-oxoethyl]amino]-3-(1H-imidazol-4-yl)-1-oxopropan-2-yl]amino]-4-[[2-[[(5Z)-5-[6-[(5-amino-2-ethyl-4-methyl-5-oxopentanoyl)amino]hexoxyimino]hexanoyl]amino]-3-phenylpropanoyl]amino]-5-oxopentanoic acid?

5-[[1-[[2-[[1-[[1-[[1-[[1-[2-[[1-[[3-[(2S,5R,6S)-3-acetamido-4-[(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]oxy-5-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1-[[5-carbamimidamido-1-oxo-1-[2-(propan-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-[(2S,5R,6S)-3-acetamido-5-hydroxy-6-(hydroxymethyl)-4-[(2S,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-1-oxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-2-oxoethyl]amino]-3-(1H-imidazol-4-yl)-1-oxopropan-2-yl]amino]-4-[[2-[[(5Z)-5-[6-[(5-amino-2-ethyl-4-methyl-5-oxopentanoyl)amino]hexoxyimino]hexanoyl]amino]-3-phenylpropanoyl]amino]-5-oxopentanoic acid has a molecular weight of 2769.99 g/mol, XLogP of -14.97, 77 rotatable bonds, 38 hydrogen bond donors, and 50 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[[1-[[2-[[1-[[1-[[1-[[1-[2-[[1-[[3-[(2S,5R,6S)-3-acetamido-4-[(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]oxy-5-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1-[[5-carbamimidamido-1-oxo-1-[2-(propan-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-[(2S,5R,6S)-3-acetamido-5-hydroxy-6-(hydroxymethyl)-4-[(2S,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-1-oxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-2-oxoethyl]amino]-3-(1H-imidazol-4-yl)-1-oxopropan-2-yl]amino]-4-[[2-[[(5Z)-5-[6-[(5-amino-2-ethyl-4-methyl-5-oxopentanoyl)amino]hexoxyimino]hexanoyl]amino]-3-phenylpropanoyl]amino]-5-oxopentanoic acid is sourced from PubChem (CID 91000289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).