About 5-[[1-[[2-[[1-[[3-[(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-1-[[1-[[1-[2-[[1-[[2-[(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-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]-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-[(2S,3S,5R)-5-hydroxy-6-(hydroxymethyl)-3-methyl-4-[(2R,3S,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxybutanoyl]amino]propanoyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carboxamide;methane
5-[[1-[[2-[[1-[[3-[(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-1-[[1-[[1-[2-[[1-[[2-[(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-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]-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-[(2S,3S,5R)-5-hydroxy-6-(hydroxymethyl)-3-methyl-4-[(2R,3S,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxybutanoyl]amino]propanoyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carboxamide;methane (PubChem CID 172960183) has the molecular formula C170H281N35O69
and a molecular weight of 3919.29 g/mol. Its IUPAC name is 5-[[1-[[2-[[1-[[3-[(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-1-[[1-[[1-[2-[[1-[[2-[(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-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]-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-[(2S,3S,5R)-5-hydroxy-6-(hydroxymethyl)-3-methyl-4-[(2R,3S,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxybutanoyl]amino]propanoyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carboxamide;methane.
Frequently Asked Questions
What is the IUPAC name of 5-[[1-[[2-[[1-[[3-[(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-1-[[1-[[1-[2-[[1-[[2-[(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-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]-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-[(2S,3S,5R)-5-hydroxy-6-(hydroxymethyl)-3-methyl-4-[(2R,3S,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxybutanoyl]amino]propanoyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carboxamide;methane?
The IUPAC name of 5-[[1-[[2-[[1-[[3-[(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-1-[[1-[[1-[2-[[1-[[2-[(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-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]-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-[(2S,3S,5R)-5-hydroxy-6-(hydroxymethyl)-3-methyl-4-[(2R,3S,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxybutanoyl]amino]propanoyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carboxamide;methane (CID 172960183) is 5-[[1-[[2-[[1-[[3-[(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-1-[[1-[[1-[2-[[1-[[2-[(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-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]-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-[(2S,3S,5R)-5-hydroxy-6-(hydroxymethyl)-3-methyl-4-[(2R,3S,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxybutanoyl]amino]propanoyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carboxamide;methane.
What is the SMILES notation for 5-[[1-[[2-[[1-[[3-[(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-1-[[1-[[1-[2-[[1-[[2-[(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-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]-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-[(2S,3S,5R)-5-hydroxy-6-(hydroxymethyl)-3-methyl-4-[(2R,3S,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxybutanoyl]amino]propanoyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carboxamide;methane?
The canonical SMILES for 5-[[1-[[2-[[1-[[3-[(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-1-[[1-[[1-[2-[[1-[[2-[(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-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]-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-[(2S,3S,5R)-5-hydroxy-6-(hydroxymethyl)-3-methyl-4-[(2R,3S,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxybutanoyl]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]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)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)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[C@H]1OC(CO)[C@H](O)C(O[C@@H]2OC(CO)[C@H](O)C(O)[C@@H]2O)[C@@H]1C.
What is the InChIKey of 5-[[1-[[2-[[1-[[3-[(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-1-[[1-[[1-[2-[[1-[[2-[(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-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]-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-[(2S,3S,5R)-5-hydroxy-6-(hydroxymethyl)-3-methyl-4-[(2R,3S,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxybutanoyl]amino]propanoyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carboxamide;methane?
The InChIKey is AHNJBEMMKDZZHC-INDSQVPHSA-N. The full InChI is InChI=1S/C109H172N20O47.C58H97N15O22.3CH4/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)169-107-81(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)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)168-108-82(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;1-26-45(95-57-44(81)43(80)41(78)37(24-75)94-57)42(79)38(25-76)93-56(26)92-30(5)40(51(87)67-29(4)53(89)73-21-11-16-36(73)55(91)72-20-10-15-35(72)49(85)65-27(2)46(59)82)69-47(83)32(23-74)68-39(77)22-64-48(84)33-13-8-18-70(33)52(88)28(3)66-50(86)34-14-9-19-71(34)54(90)31(62-6)12-7-17-63-58(60)61;;;/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);26-38,40-45,56-57,62,74-76,78-81H,7-25H2,1-6H3,(H2,59,82)(H,64,84)(H,65,85)(H,66,86)(H,67,87)(H,68,77)(H,69,83)(H4,60,61,63);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-;26-,27?,28?,29?,30?,31?,32?,33?,34?,35?,36?,37?,38?,40?,41-,42-,43?,44-,45?,56-,57-;;;/m00.../s1.
What are the key properties of 5-[[1-[[2-[[1-[[3-[(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-1-[[1-[[1-[2-[[1-[[2-[(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-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]-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-[(2S,3S,5R)-5-hydroxy-6-(hydroxymethyl)-3-methyl-4-[(2R,3S,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxybutanoyl]amino]propanoyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carboxamide;methane?
5-[[1-[[2-[[1-[[3-[(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-1-[[1-[[1-[2-[[1-[[2-[(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-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]-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-[(2S,3S,5R)-5-hydroxy-6-(hydroxymethyl)-3-methyl-4-[(2R,3S,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxybutanoyl]amino]propanoyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carboxamide;methane has a molecular weight of 3919.29 g/mol, XLogP of -21.62, 100 rotatable bonds, 50 hydrogen bond donors, and 71 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[1-[[2-[[1-[[3-[(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-1-[[1-[[1-[2-[[1-[[2-[(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-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]-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-[(2S,3S,5R)-5-hydroxy-6-(hydroxymethyl)-3-methyl-4-[(2R,3S,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxybutanoyl]amino]propanoyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carboxamide;methane is sourced from PubChem (CID 172960183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).