5-[[1-[[2-[[1-[[1-[[1-[[1-[2-[[1-[[2-[(2S,5R,6S)-3-acetamido-4-[(2R,5S,6S)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-oxopentan-3-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-6-[[(2R,5S,6S)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-5-hydroxy-4-[(2R,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-[[(5E)-5-[6-[(5-amino-2-ethyl-4-methyl-5-oxopentanoyl)amino]hexoxyimino]hexanoyl]amino]-3-phenylpropanoyl]amino]-5-oxopentanoic acid;N-(1-amino-1-oxopropan-2-yl)-1-[1-[2-[[2-[[2-[[2-[[1-[2-[[1-[5-(diaminomethylideneamino)-2-(methylamino)pentanoyl]pyrrolidine-2-carbonyl]amino]propanoyl]pyrrolidine-2-carbonyl]amino]acetyl]amino]-3-hydroxypropanoyl]amino]-3-hydroxybutanoyl]amino]propanoyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carboxamide;methane

C157H259N35O60 — CID 172954572

About 5-[[1-[[2-[[1-[[1-[[1-[[1-[2-[[1-[[2-[(2S,5R,6S)-3-acetamido-4-[(2R,5S,6S)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-oxopentan-3-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-6-[[(2R,5S,6S)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-5-hydroxy-4-[(2R,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-[[(5E)-5-[6-[(5-amino-2-ethyl-4-methyl-5-oxopentanoyl)amino]hexoxyimino]hexanoyl]amino]-3-phenylpropanoyl]amino]-5-oxopentanoic acid;N-(1-amino-1-oxopropan-2-yl)-1-[1-[2-[[2-[[2-[[2-[[1-[2-[[1-[5-(diaminomethylideneamino)-2-(methylamino)pentanoyl]pyrrolidine-2-carbonyl]amino]propanoyl]pyrrolidine-2-carbonyl]amino]acetyl]amino]-3-hydroxypropanoyl]amino]-3-hydroxybutanoyl]amino]propanoyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carboxamide;methane

5-[[1-[[2-[[1-[[1-[[1-[[1-[2-[[1-[[2-[(2S,5R,6S)-3-acetamido-4-[(2R,5S,6S)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-oxopentan-3-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-6-[[(2R,5S,6S)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-5-hydroxy-4-[(2R,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-[[(5E)-5-[6-[(5-amino-2-ethyl-4-methyl-5-oxopentanoyl)amino]hexoxyimino]hexanoyl]amino]-3-phenylpropanoyl]amino]-5-oxopentanoic acid;N-(1-amino-1-oxopropan-2-yl)-1-[1-[2-[[2-[[2-[[2-[[1-[2-[[1-[5-(diaminomethylideneamino)-2-(methylamino)pentanoyl]pyrrolidine-2-carbonyl]amino]propanoyl]pyrrolidine-2-carbonyl]amino]acetyl]amino]-3-hydroxypropanoyl]amino]-3-hydroxybutanoyl]amino]propanoyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carboxamide;methane (PubChem CID 172954572) has the molecular formula C157H259N35O60 and a molecular weight of 3596.98 g/mol. Its IUPAC name is 5-[[1-[[2-[[1-[[1-[[1-[[1-[2-[[1-[[2-[(2S,5R,6S)-3-acetamido-4-[(2R,5S,6S)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-oxopentan-3-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-6-[[(2R,5S,6S)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-5-hydroxy-4-[(2R,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-[[(5E)-5-[6-[(5-amino-2-ethyl-4-methyl-5-oxopentanoyl)amino]hexoxyimino]hexanoyl]amino]-3-phenylpropanoyl]amino]-5-oxopentanoic acid;N-(1-amino-1-oxopropan-2-yl)-1-[1-[2-[[2-[[2-[[2-[[1-[2-[[1-[5-(diaminomethylideneamino)-2-(methylamino)pentanoyl]pyrrolidine-2-carbonyl]amino]propanoyl]pyrrolidine-2-carbonyl]amino]acetyl]amino]-3-hydroxypropanoyl]amino]-3-hydroxybutanoyl]amino]propanoyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carboxamide;methane.

Molecular Properties

• Compound Name: 5-[[1-[[2-[[1-[[1-[[1-[[1-[2-[[1-[[2-[(2S,5R,6S)-3-acetamido-4-[(2R,5S,6S)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-oxopentan-3-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-6-[[(2R,5S,6S)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-5-hydroxy-4-[(2R,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-[[(5E)-5-[6-[(5-amino-2-ethyl-4-methyl-5-oxopentanoyl)amino]hexoxyimino]hexanoyl]amino]-3-phenylpropanoyl]amino]-5-oxopentanoic acid;N-(1-amino-1-oxopropan-2-yl)-1-[1-[2-[[2-[[2-[[2-[[1-[2-[[1-[5-(diaminomethylideneamino)-2-(methylamino)pentanoyl]pyrrolidine-2-carbonyl]amino]propanoyl]pyrrolidine-2-carbonyl]amino]acetyl]amino]-3-hydroxypropanoyl]amino]-3-hydroxybutanoyl]amino]propanoyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carboxamide;methane
• PubChem CID: 172954572
• Molecular Formula: C157H259N35O60
• Molecular Weight: 3596.98 g/mol
• Exact Mass: 3594.83
• IUPAC Name: 5-[[1-[[2-[[1-[[1-[[1-[[1-[2-[[1-[[2-[(2S,5R,6S)-3-acetamido-4-[(2R,5S,6S)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-oxopentan-3-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-6-[[(2R,5S,6S)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-5-hydroxy-4-[(2R,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-[[(5E)-5-[6-[(5-amino-2-ethyl-4-methyl-5-oxopentanoyl)amino]hexoxyimino]hexanoyl]amino]-3-phenylpropanoyl]amino]-5-oxopentanoic acid;N-(1-amino-1-oxopropan-2-yl)-1-[1-[2-[[2-[[2-[[2-[[1-[2-[[1-[5-(diaminomethylideneamino)-2-(methylamino)pentanoyl]pyrrolidine-2-carbonyl]amino]propanoyl]pyrrolidine-2-carbonyl]amino]acetyl]amino]-3-hydroxypropanoyl]amino]-3-hydroxybutanoyl]amino]propanoyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carboxamide;methane
• SMILES: C.C.C.CCC(CC(C)C(N)=O)C(=O)NCCCCCCO/N=C(\C)CCCC(=O)NC(Cc1ccccc1)C(=O)NC(CCC(=O)O)C(=O)NC(Cc1c[nH]cn1)C(=O)NCC(=O)NC(C(=O)NC(C(=O)NC(CO)C(=O)NC(C)C(=O)N1CCCC1C(=O)NC(CC(=O)O)C(=O)NC(C(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)C2NC(C)=O)C1NC(C)=O)C(C)O[C@H]1O[C@@H](CO[C@@H]2O[C@@H](CO)[C@@H](O)C(O)C2NC(C)=O)[C@H](O)C(O[C@@H]2O[C@@H](CO)[C@H](O)C(O)C2O)C1NC(C)=O)C(C)C.CNC(CCCN=C(N)N)C(=O)N1CCCC1C(=O)NC(C)C(=O)N1CCCC1C(=O)NCC(=O)NC(CO)C(=O)NC(C(=O)NC(C)C(=O)N1CCCC1C(=O)N1CCCC1C(=O)NC(C)C(N)=O)C(C)O
• InChI: InChI=1S/C109H172N20O47.C45H75N15O13.3CH4/c1-14-59(34-48(4)94(110)155)95(156)112-31-20-15-16-21-33-167-128-49(5)24-22-28-72(140)120-62(35-58-25-18-17-19-26-58)98(159)121-61(29-30-74(142)143)97(158)122-63(36-60-38-111-46-114-60)96(157)113-39-73(141)125-76(47(2)3)102(163)127-78(53(9)169-108-82(119-57(13)139)93(176-109-91(154)90(153)85(148)69(43-133)173-109)87(150)71(174-108)45-166-105-79(116-54(10)136)88(151)83(146)67(41-131)170-105)103(164)124-65(40-130)100(161)115-50(6)104(165)129-32-23-27-66(129)101(162)123-64(37-75(144)145)99(160)126-77(51(7)135)52(8)168-107-81(118-56(12)138)92(86(149)70(44-134)172-107)175-106-80(117-55(11)137)89(152)84(147)68(42-132)171-106;1-23(35(46)64)52-38(67)31-14-9-19-59(31)44(73)32-15-10-20-60(32)42(71)25(3)54-40(69)34(26(4)62)56-36(65)28(22-61)55-33(63)21-51-37(66)29-12-7-17-57(29)41(70)24(2)53-39(68)30-13-8-18-58(30)43(72)27(49-5)11-6-16-50-45(47)48;;;/h17-19,25-26,38,46-48,50,52-53,59,61-71,76-93,105-109,130-134,146-154H,14-16,20-24,27-37,39-45H2,1-13H3,(H2,110,155)(H,111,114)(H,112,156)(H,113,157)(H,115,161)(H,116,136)(H,117,137)(H,118,138)(H,119,139)(H,120,140)(H,121,159)(H,122,158)(H,123,162)(H,124,164)(H,125,141)(H,126,160)(H,127,163)(H,142,143)(H,144,145);23-32,34,49,61-62H,6-22H2,1-5H3,(H2,46,64)(H,51,66)(H,52,67)(H,53,68)(H,54,69)(H,55,63)(H,56,65)(H4,47,48,50);3*1H4/b128-49+;;;;/t48?,50?,52?,53?,59?,61?,62?,63?,64?,65?,66?,67-,68-,69-,70-,71-,76?,77?,78?,79?,80?,81?,82?,83+,84+,85-,86-,87-,88?,89?,90?,91?,92?,93?,105+,106-,107-,108-,109-;;;;/m0..../s1
• InChIKey: ZEYIJYNHJXOCNJ-UHWZPOFDSA-N
• XLogP: -18.54
• TPSA: 1433.18 Ų
• H-Bond Donors: 45
• H-Bond Acceptors: 62
• Rotatable Bonds: 94
• Heavy Atoms: 252
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3596.98
LogP ≤ 5	-18.54
H-Bond Donors ≤ 5	45
H-Bond Acceptors ≤ 10	62

Frequently Asked Questions

What is the IUPAC name of 5-[[1-[[2-[[1-[[1-[[1-[[1-[2-[[1-[[2-[(2S,5R,6S)-3-acetamido-4-[(2R,5S,6S)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-oxopentan-3-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-6-[[(2R,5S,6S)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-5-hydroxy-4-[(2R,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-[[(5E)-5-[6-[(5-amino-2-ethyl-4-methyl-5-oxopentanoyl)amino]hexoxyimino]hexanoyl]amino]-3-phenylpropanoyl]amino]-5-oxopentanoic acid;N-(1-amino-1-oxopropan-2-yl)-1-[1-[2-[[2-[[2-[[2-[[1-[2-[[1-[5-(diaminomethylideneamino)-2-(methylamino)pentanoyl]pyrrolidine-2-carbonyl]amino]propanoyl]pyrrolidine-2-carbonyl]amino]acetyl]amino]-3-hydroxypropanoyl]amino]-3-hydroxybutanoyl]amino]propanoyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carboxamide;methane?

The IUPAC name of 5-[[1-[[2-[[1-[[1-[[1-[[1-[2-[[1-[[2-[(2S,5R,6S)-3-acetamido-4-[(2R,5S,6S)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-oxopentan-3-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-6-[[(2R,5S,6S)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-5-hydroxy-4-[(2R,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-[[(5E)-5-[6-[(5-amino-2-ethyl-4-methyl-5-oxopentanoyl)amino]hexoxyimino]hexanoyl]amino]-3-phenylpropanoyl]amino]-5-oxopentanoic acid;N-(1-amino-1-oxopropan-2-yl)-1-[1-[2-[[2-[[2-[[2-[[1-[2-[[1-[5-(diaminomethylideneamino)-2-(methylamino)pentanoyl]pyrrolidine-2-carbonyl]amino]propanoyl]pyrrolidine-2-carbonyl]amino]acetyl]amino]-3-hydroxypropanoyl]amino]-3-hydroxybutanoyl]amino]propanoyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carboxamide;methane (CID 172954572) is 5-[[1-[[2-[[1-[[1-[[1-[[1-[2-[[1-[[2-[(2S,5R,6S)-3-acetamido-4-[(2R,5S,6S)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-oxopentan-3-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-6-[[(2R,5S,6S)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-5-hydroxy-4-[(2R,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-[[(5E)-5-[6-[(5-amino-2-ethyl-4-methyl-5-oxopentanoyl)amino]hexoxyimino]hexanoyl]amino]-3-phenylpropanoyl]amino]-5-oxopentanoic acid;N-(1-amino-1-oxopropan-2-yl)-1-[1-[2-[[2-[[2-[[2-[[1-[2-[[1-[5-(diaminomethylideneamino)-2-(methylamino)pentanoyl]pyrrolidine-2-carbonyl]amino]propanoyl]pyrrolidine-2-carbonyl]amino]acetyl]amino]-3-hydroxypropanoyl]amino]-3-hydroxybutanoyl]amino]propanoyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carboxamide;methane.

What is the SMILES notation for 5-[[1-[[2-[[1-[[1-[[1-[[1-[2-[[1-[[2-[(2S,5R,6S)-3-acetamido-4-[(2R,5S,6S)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-oxopentan-3-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-6-[[(2R,5S,6S)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-5-hydroxy-4-[(2R,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-[[(5E)-5-[6-[(5-amino-2-ethyl-4-methyl-5-oxopentanoyl)amino]hexoxyimino]hexanoyl]amino]-3-phenylpropanoyl]amino]-5-oxopentanoic acid;N-(1-amino-1-oxopropan-2-yl)-1-[1-[2-[[2-[[2-[[2-[[1-[2-[[1-[5-(diaminomethylideneamino)-2-(methylamino)pentanoyl]pyrrolidine-2-carbonyl]amino]propanoyl]pyrrolidine-2-carbonyl]amino]acetyl]amino]-3-hydroxypropanoyl]amino]-3-hydroxybutanoyl]amino]propanoyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carboxamide;methane?

The canonical SMILES for 5-[[1-[[2-[[1-[[1-[[1-[[1-[2-[[1-[[2-[(2S,5R,6S)-3-acetamido-4-[(2R,5S,6S)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-oxopentan-3-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-6-[[(2R,5S,6S)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-5-hydroxy-4-[(2R,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-[[(5E)-5-[6-[(5-amino-2-ethyl-4-methyl-5-oxopentanoyl)amino]hexoxyimino]hexanoyl]amino]-3-phenylpropanoyl]amino]-5-oxopentanoic acid;N-(1-amino-1-oxopropan-2-yl)-1-[1-[2-[[2-[[2-[[2-[[1-[2-[[1-[5-(diaminomethylideneamino)-2-(methylamino)pentanoyl]pyrrolidine-2-carbonyl]amino]propanoyl]pyrrolidine-2-carbonyl]amino]acetyl]amino]-3-hydroxypropanoyl]amino]-3-hydroxybutanoyl]amino]propanoyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carboxamide;methane is C.C.C.CCC(CC(C)C(N)=O)C(=O)NCCCCCCO/N=C(\C)CCCC(=O)NC(Cc1ccccc1)C(=O)NC(CCC(=O)O)C(=O)NC(Cc1c[nH]cn1)C(=O)NCC(=O)NC(C(=O)NC(C(=O)NC(CO)C(=O)NC(C)C(=O)N1CCCC1C(=O)NC(CC(=O)O)C(=O)NC(C(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)C2NC(C)=O)C1NC(C)=O)C(C)O[C@H]1O[C@@H](CO[C@@H]2O[C@@H](CO)[C@@H](O)C(O)C2NC(C)=O)[C@H](O)C(O[C@@H]2O[C@@H](CO)[C@H](O)C(O)C2O)C1NC(C)=O)C(C)C.CNC(CCCN=C(N)N)C(=O)N1CCCC1C(=O)NC(C)C(=O)N1CCCC1C(=O)NCC(=O)NC(CO)C(=O)NC(C(=O)NC(C)C(=O)N1CCCC1C(=O)N1CCCC1C(=O)NC(C)C(N)=O)C(C)O.

What is the InChIKey of 5-[[1-[[2-[[1-[[1-[[1-[[1-[2-[[1-[[2-[(2S,5R,6S)-3-acetamido-4-[(2R,5S,6S)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-oxopentan-3-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-6-[[(2R,5S,6S)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-5-hydroxy-4-[(2R,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-[[(5E)-5-[6-[(5-amino-2-ethyl-4-methyl-5-oxopentanoyl)amino]hexoxyimino]hexanoyl]amino]-3-phenylpropanoyl]amino]-5-oxopentanoic acid;N-(1-amino-1-oxopropan-2-yl)-1-[1-[2-[[2-[[2-[[2-[[1-[2-[[1-[5-(diaminomethylideneamino)-2-(methylamino)pentanoyl]pyrrolidine-2-carbonyl]amino]propanoyl]pyrrolidine-2-carbonyl]amino]acetyl]amino]-3-hydroxypropanoyl]amino]-3-hydroxybutanoyl]amino]propanoyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carboxamide;methane?

The InChIKey is ZEYIJYNHJXOCNJ-UHWZPOFDSA-N. The full InChI is InChI=1S/C109H172N20O47.C45H75N15O13.3CH4/c1-14-59(34-48(4)94(110)155)95(156)112-31-20-15-16-21-33-167-128-49(5)24-22-28-72(140)120-62(35-58-25-18-17-19-26-58)98(159)121-61(29-30-74(142)143)97(158)122-63(36-60-38-111-46-114-60)96(157)113-39-73(141)125-76(47(2)3)102(163)127-78(53(9)169-108-82(119-57(13)139)93(176-109-91(154)90(153)85(148)69(43-133)173-109)87(150)71(174-108)45-166-105-79(116-54(10)136)88(151)83(146)67(41-131)170-105)103(164)124-65(40-130)100(161)115-50(6)104(165)129-32-23-27-66(129)101(162)123-64(37-75(144)145)99(160)126-77(51(7)135)52(8)168-107-81(118-56(12)138)92(86(149)70(44-134)172-107)175-106-80(117-55(11)137)89(152)84(147)68(42-132)171-106;1-23(35(46)64)52-38(67)31-14-9-19-59(31)44(73)32-15-10-20-60(32)42(71)25(3)54-40(69)34(26(4)62)56-36(65)28(22-61)55-33(63)21-51-37(66)29-12-7-17-57(29)41(70)24(2)53-39(68)30-13-8-18-58(30)43(72)27(49-5)11-6-16-50-45(47)48;;;/h17-19,25-26,38,46-48,50,52-53,59,61-71,76-93,105-109,130-134,146-154H,14-16,20-24,27-37,39-45H2,1-13H3,(H2,110,155)(H,111,114)(H,112,156)(H,113,157)(H,115,161)(H,116,136)(H,117,137)(H,118,138)(H,119,139)(H,120,140)(H,121,159)(H,122,158)(H,123,162)(H,124,164)(H,125,141)(H,126,160)(H,127,163)(H,142,143)(H,144,145);23-32,34,49,61-62H,6-22H2,1-5H3,(H2,46,64)(H,51,66)(H,52,67)(H,53,68)(H,54,69)(H,55,63)(H,56,65)(H4,47,48,50);3*1H4/b128-49+;;;;/t48?,50?,52?,53?,59?,61?,62?,63?,64?,65?,66?,67-,68-,69-,70-,71-,76?,77?,78?,79?,80?,81?,82?,83+,84+,85-,86-,87-,88?,89?,90?,91?,92?,93?,105+,106-,107-,108-,109-;;;;/m0..../s1.

What are the key properties of 5-[[1-[[2-[[1-[[1-[[1-[[1-[2-[[1-[[2-[(2S,5R,6S)-3-acetamido-4-[(2R,5S,6S)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-oxopentan-3-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-6-[[(2R,5S,6S)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-5-hydroxy-4-[(2R,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-[[(5E)-5-[6-[(5-amino-2-ethyl-4-methyl-5-oxopentanoyl)amino]hexoxyimino]hexanoyl]amino]-3-phenylpropanoyl]amino]-5-oxopentanoic acid;N-(1-amino-1-oxopropan-2-yl)-1-[1-[2-[[2-[[2-[[2-[[1-[2-[[1-[5-(diaminomethylideneamino)-2-(methylamino)pentanoyl]pyrrolidine-2-carbonyl]amino]propanoyl]pyrrolidine-2-carbonyl]amino]acetyl]amino]-3-hydroxypropanoyl]amino]-3-hydroxybutanoyl]amino]propanoyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carboxamide;methane?

5-[[1-[[2-[[1-[[1-[[1-[[1-[2-[[1-[[2-[(2S,5R,6S)-3-acetamido-4-[(2R,5S,6S)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-oxopentan-3-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-6-[[(2R,5S,6S)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-5-hydroxy-4-[(2R,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-[[(5E)-5-[6-[(5-amino-2-ethyl-4-methyl-5-oxopentanoyl)amino]hexoxyimino]hexanoyl]amino]-3-phenylpropanoyl]amino]-5-oxopentanoic acid;N-(1-amino-1-oxopropan-2-yl)-1-[1-[2-[[2-[[2-[[2-[[1-[2-[[1-[5-(diaminomethylideneamino)-2-(methylamino)pentanoyl]pyrrolidine-2-carbonyl]amino]propanoyl]pyrrolidine-2-carbonyl]amino]acetyl]amino]-3-hydroxypropanoyl]amino]-3-hydroxybutanoyl]amino]propanoyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carboxamide;methane has a molecular weight of 3596.98 g/mol, XLogP of -18.54, 94 rotatable bonds, 45 hydrogen bond donors, and 62 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[[1-[[2-[[1-[[1-[[1-[[1-[2-[[1-[[2-[(2S,5R,6S)-3-acetamido-4-[(2R,5S,6S)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-oxopentan-3-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-6-[[(2R,5S,6S)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-5-hydroxy-4-[(2R,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-[[(5E)-5-[6-[(5-amino-2-ethyl-4-methyl-5-oxopentanoyl)amino]hexoxyimino]hexanoyl]amino]-3-phenylpropanoyl]amino]-5-oxopentanoic acid;N-(1-amino-1-oxopropan-2-yl)-1-[1-[2-[[2-[[2-[[2-[[1-[2-[[1-[5-(diaminomethylideneamino)-2-(methylamino)pentanoyl]pyrrolidine-2-carbonyl]amino]propanoyl]pyrrolidine-2-carbonyl]amino]acetyl]amino]-3-hydroxypropanoyl]amino]-3-hydroxybutanoyl]amino]propanoyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carboxamide;methane is sourced from PubChem (CID 172954572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).