C235H448N28O73S — CID 158718649
2-(2-butoxyethoxy)-N-[2-[2-[2-oxo-2-[2-[2-[2-oxo-2-[2-[2-[2-oxo-5-[2-[2-oxo-5-[2-(2-oxopropoxy)ethoxy]pentoxy]ethoxy]pentoxy]ethoxy]ethylamino]ethoxy]ethoxy]ethylamino]ethoxy]ethoxy]ethyl]acetamide;(4S)-4-[[(4S)-4-carboxy-4-(methylamino)butanoyl]amino]-5-oxohexanoic acid;(2S)-6-[[(1S)-1-carboxy-4-oxopentyl]amino]-2-(methylamino)-5-oxohexanoic acid;4-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]butan-2-one;2-[2-[2-(methylamino)ethoxy]ethoxy]-N-[2-[2-(2-oxopropoxy)ethoxy]ethyl]acetamide;1-[2-[2-(methylamino)ethoxy]ethoxy]propan-2-one;1-[4-(methylaminomethyl)cyclohexyl]ethanone;(2S)-2-(methylamino)-5-oxohexanoic acid;(2S)-2-(methylamino)-5-oxo-5-(4-oxopentylamino)pentanoic acid;(2R)-2-(methylamino)-4-oxopentanoic acid;bis(5-(methylamino)pentan-2-one);13-(methylamino)tridecan-2-one;1-(1-methylpiperidin-4-yl)ethanone;nonan-2-one;N-(4-oxopentylsulfonyl)-16-(4H-triazol-5-yl)hexadecanamide;17-(2H-tetrazol-5-yl)heptadecan-2-one (PubChem CID 158718649) has the molecular formula C235H448N28O73S and a molecular weight of 4866.36 g/mol. Its IUPAC name is 2-(2-butoxyethoxy)-N-[2-[2-[2-oxo-2-[2-[2-[2-oxo-2-[2-[2-[2-oxo-5-[2-[2-oxo-5-[2-(2-oxopropoxy)ethoxy]pentoxy]ethoxy]pentoxy]ethoxy]ethylamino]ethoxy]ethoxy]ethylamino]ethoxy]ethoxy]ethyl]acetamide;(4S)-4-[[(4S)-4-carboxy-4-(methylamino)butanoyl]amino]-5-oxohexanoic acid;(2S)-6-[[(1S)-1-carboxy-4-oxopentyl]amino]-2-(methylamino)-5-oxohexanoic acid;4-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]butan-2-one;2-[2-[2-(methylamino)ethoxy]ethoxy]-N-[2-[2-(2-oxopropoxy)ethoxy]ethyl]acetamide;1-[2-[2-(methylamino)ethoxy]ethoxy]propan-2-one;1-[4-(methylaminomethyl)cyclohexyl]ethanone;(2S)-2-(methylamino)-5-oxohexanoic acid;(2S)-2-(methylamino)-5-oxo-5-(4-oxopentylamino)pentanoic acid;(2R)-2-(methylamino)-4-oxopentanoic acid;bis(5-(methylamino)pentan-2-one);13-(methylamino)tridecan-2-one;1-(1-methylpiperidin-4-yl)ethanone;nonan-2-one;N-(4-oxopentylsulfonyl)-16-(4H-triazol-5-yl)hexadecanamide;17-(2H-tetrazol-5-yl)heptadecan-2-one.
| Compound Name | 2-(2-butoxyethoxy)-N-[2-[2-[2-oxo-2-[2-[2-[2-oxo-2-[2-[2-[2-oxo-5-[2-[2-oxo-5-[2-(2-oxopropoxy)ethoxy]pentoxy]ethoxy]pentoxy]ethoxy]ethylamino]ethoxy]ethoxy]ethylamino]ethoxy]ethoxy]ethyl]acetamide;(4S)-4-[[(4S)-4-carboxy-4-(methylamino)butanoyl]amino]-5-oxohexanoic acid;(2S)-6-[[(1S)-1-carboxy-4-oxopentyl]amino]-2-(methylamino)-5-oxohexanoic acid;4-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]butan-2-one;2-[2-[2-(methylamino)ethoxy]ethoxy]-N-[2-[2-(2-oxopropoxy)ethoxy]ethyl]acetamide;1-[2-[2-(methylamino)ethoxy]ethoxy]propan-2-one;1-[4-(methylaminomethyl)cyclohexyl]ethanone;(2S)-2-(methylamino)-5-oxohexanoic acid;(2S)-2-(methylamino)-5-oxo-5-(4-oxopentylamino)pentanoic acid;(2R)-2-(methylamino)-4-oxopentanoic acid;bis(5-(methylamino)pentan-2-one);13-(methylamino)tridecan-2-one;1-(1-methylpiperidin-4-yl)ethanone;nonan-2-one;N-(4-oxopentylsulfonyl)-16-(4H-triazol-5-yl)hexadecanamide;17-(2H-tetrazol-5-yl)heptadecan-2-one |
|---|---|
| PubChem CID | 158718649 |
| Molecular Formula | C235H448N28O73S |
| Molecular Weight | 4866.36 g/mol |
| Exact Mass | 4863.19 |
| IUPAC Name | 2-(2-butoxyethoxy)-N-[2-[2-[2-oxo-2-[2-[2-[2-oxo-2-[2-[2-[2-oxo-5-[2-[2-oxo-5-[2-(2-oxopropoxy)ethoxy]pentoxy]ethoxy]pentoxy]ethoxy]ethylamino]ethoxy]ethoxy]ethylamino]ethoxy]ethoxy]ethyl]acetamide;(4S)-4-[[(4S)-4-carboxy-4-(methylamino)butanoyl]amino]-5-oxohexanoic acid;(2S)-6-[[(1S)-1-carboxy-4-oxopentyl]amino]-2-(methylamino)-5-oxohexanoic acid;4-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]butan-2-one;2-[2-[2-(methylamino)ethoxy]ethoxy]-N-[2-[2-(2-oxopropoxy)ethoxy]ethyl]acetamide;1-[2-[2-(methylamino)ethoxy]ethoxy]propan-2-one;1-[4-(methylaminomethyl)cyclohexyl]ethanone;(2S)-2-(methylamino)-5-oxohexanoic acid;(2S)-2-(methylamino)-5-oxo-5-(4-oxopentylamino)pentanoic acid;(2R)-2-(methylamino)-4-oxopentanoic acid;bis(5-(methylamino)pentan-2-one);13-(methylamino)tridecan-2-one;1-(1-methylpiperidin-4-yl)ethanone;nonan-2-one;N-(4-oxopentylsulfonyl)-16-(4H-triazol-5-yl)hexadecanamide;17-(2H-tetrazol-5-yl)heptadecan-2-one |
| SMILES | CC(=O)C1CCN(C)CC1.CC(=O)CCCCCCCCCCCCCCCc1nn[nH]n1.CC(=O)CCCS(=O)(=O)NC(=O)CCCCCCCCCCCCCCCC1=NN=NC1.CCCCCCCC(C)=O.CCCCOCCOCC(=O)NCCOCCOCC(=O)NCCOCCOCC(=O)NCCOCCOCC(=O)CCCOCCOCC(=O)CCCOCCOCC(C)=O.CNCC1CCC(C(C)=O)CC1.CNCCCC(C)=O.CNCCCC(C)=O.CNCCCCCCCCCCCC(C)=O.CNCCOCCOCC(=O)NCCOCCOCC(C)=O.CNCCOCCOCC(C)=O.CNCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCC(C)=O.CN[C@@H](CCC(=O)CN[C@@H](CCC(C)=O)C(=O)O)C(=O)O.CN[C@@H](CCC(=O)NCCCC(C)=O)C(=O)O.CN[C@@H](CCC(=O)N[C@@H](CCC(=O)O)C(C)=O)C(=O)O.CN[C@@H](CCC(C)=O)C(=O)O.CN[C@H](CC(C)=O)C(=O)O |
| InChI | InChI=1S/C41H75N3O18.C29H59NO13.C23H42N4O4S.C18H34N4O.C14H28N2O6.C14H29NO.C13H22N2O6.C12H20N2O6.C11H20N2O4.C10H19NO.C9H18O.C8H17NO3.C8H15NO.C7H13NO3.C6H11NO3.2C6H13NO/c1-3-4-12-51-20-27-60-33-39(48)43-10-16-55-22-29-62-35-41(50)44-11-17-56-23-28-61-34-40(49)42-9-15-54-21-26-59-32-38(47)8-6-14-53-19-25-58-31-37(46)7-5-13-52-18-24-57-30-36(2)45;1-29(31)3-5-32-7-9-34-11-13-36-15-17-38-19-21-40-23-25-42-27-28-43-26-24-41-22-20-39-18-16-37-14-12-35-10-8-33-6-4-30-2;1-21(28)16-15-19-32(30,31)26-23(29)18-14-12-10-8-6-4-2-3-5-7-9-11-13-17-22-20-24-27-25-22;1-17(23)15-13-11-9-7-5-3-2-4-6-8-10-12-14-16-18-19-21-22-20-18;1-13(17)11-21-9-7-20-6-4-16-14(18)12-22-10-8-19-5-3-15-2;1-14(16)12-10-8-6-4-3-5-7-9-11-13-15-2;1-8(16)3-5-11(13(20)21)15-7-9(17)4-6-10(14-2)12(18)19;1-7(15)8(4-6-11(17)18)14-10(16)5-3-9(13-2)12(19)20;1-8(14)4-3-7-13-10(15)6-5-9(12-2)11(16)17;1-8(12)10-5-3-9(4-6-10)7-11-2;1-3-4-5-6-7-8-9(2)10;1-8(10)7-12-6-5-11-4-3-9-2;1-7(10)8-3-5-9(2)6-4-8;1-5(9)3-4-6(8-2)7(10)11;1-4(8)3-5(7-2)6(9)10;2*1-6(8)4-3-5-7-2/h3-35H2,1-2H3,(H,42,49)(H,43,48)(H,44,50);30H,3-28H2,1-2H3;2-20H2,1H3,(H,26,29);2-16H2,1H3,(H,19,20,21,22);15H,3-12H2,1-2H3,(H,16,18);15H,3-13H2,1-2H3;10-11,14-15H,3-7H2,1-2H3,(H,18,19)(H,20,21);8-9,13H,3-6H2,1-2H3,(H,14,16)(H,17,18)(H,19,20);9,12H,3-7H2,1-2H3,(H,13,15)(H,16,17);9-11H,3-7H2,1-2H3;3-8H2,1-2H3;9H,3-7H2,1-2H3;8H,3-6H2,1-2H3;6,8H,3-4H2,1-2H3,(H,10,11);5,7H,3H2,1-2H3,(H,9,10);2*7H,3-5H2,1-2H3/t;;;;;;10-,11-;8-,9-;9-;;;;;6-;5-;;/m......000....01../s1 |
| InChIKey | IJQDKNRGUCXRIT-FURVDAJKSA-N |
| XLogP | 17.77 |
| TPSA | 1368.41 Ų |
| H-Bond Donors | 28 |
| H-Bond Acceptors | 86 |
| Rotatable Bonds | 220 |
| Heavy Atoms | 337 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 4866.36 |
| LogP ≤ 5 | 17.77 |
| H-Bond Donors ≤ 5 | 28 |
| H-Bond Acceptors ≤ 10 | 86 |