About 2-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-[(1R,2R)-2-hydroxy-1-[[(2S,4R)-1-methyl-4-propylpyrrolidine-2-carbonyl]amino]propyl]oxan-2-yl]sulfanylethyl 2,5-dihydroxybenzoate;2-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-[(1R,2R)-2-hydroxy-1-[[(1S,3S)-3-propylcyclopentanecarbonyl]amino]propyl]oxan-2-yl]sulfanylethyl 2,5-dihydroxybenzoate;2-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-[(1R,2R)-2-methoxy-1-[[(2S,4R)-1-methyl-4-propylpyrrolidine-2-carbonyl]amino]propyl]oxan-2-yl]sulfanylethyl 2,5-dihydroxybenzoate;2-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-[(1R,2R)-2-methoxy-1-[[(1S,3S)-3-propylcyclopentanecarbonyl]amino]propyl]oxan-2-yl]sulfanylethyl 2,5-dihydroxybenzoate
2-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-[(1R,2R)-2-hydroxy-1-[[(2S,4R)-1-methyl-4-propylpyrrolidine-2-carbonyl]amino]propyl]oxan-2-yl]sulfanylethyl 2,5-dihydroxybenzoate;2-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-[(1R,2R)-2-hydroxy-1-[[(1S,3S)-3-propylcyclopentanecarbonyl]amino]propyl]oxan-2-yl]sulfanylethyl 2,5-dihydroxybenzoate;2-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-[(1R,2R)-2-methoxy-1-[[(2S,4R)-1-methyl-4-propylpyrrolidine-2-carbonyl]amino]propyl]oxan-2-yl]sulfanylethyl 2,5-dihydroxybenzoate;2-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-[(1R,2R)-2-methoxy-1-[[(1S,3S)-3-propylcyclopentanecarbonyl]amino]propyl]oxan-2-yl]sulfanylethyl 2,5-dihydroxybenzoate (PubChem CID 160740124) has the molecular formula C106H162N6O40S4
and a molecular weight of 2288.73 g/mol. Its IUPAC name is 2-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-[(1R,2R)-2-hydroxy-1-[[(2S,4R)-1-methyl-4-propylpyrrolidine-2-carbonyl]amino]propyl]oxan-2-yl]sulfanylethyl 2,5-dihydroxybenzoate;2-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-[(1R,2R)-2-hydroxy-1-[[(1S,3S)-3-propylcyclopentanecarbonyl]amino]propyl]oxan-2-yl]sulfanylethyl 2,5-dihydroxybenzoate;2-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-[(1R,2R)-2-methoxy-1-[[(2S,4R)-1-methyl-4-propylpyrrolidine-2-carbonyl]amino]propyl]oxan-2-yl]sulfanylethyl 2,5-dihydroxybenzoate;2-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-[(1R,2R)-2-methoxy-1-[[(1S,3S)-3-propylcyclopentanecarbonyl]amino]propyl]oxan-2-yl]sulfanylethyl 2,5-dihydroxybenzoate.
Frequently Asked Questions
What is the IUPAC name of 2-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-[(1R,2R)-2-hydroxy-1-[[(2S,4R)-1-methyl-4-propylpyrrolidine-2-carbonyl]amino]propyl]oxan-2-yl]sulfanylethyl 2,5-dihydroxybenzoate;2-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-[(1R,2R)-2-hydroxy-1-[[(1S,3S)-3-propylcyclopentanecarbonyl]amino]propyl]oxan-2-yl]sulfanylethyl 2,5-dihydroxybenzoate;2-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-[(1R,2R)-2-methoxy-1-[[(2S,4R)-1-methyl-4-propylpyrrolidine-2-carbonyl]amino]propyl]oxan-2-yl]sulfanylethyl 2,5-dihydroxybenzoate;2-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-[(1R,2R)-2-methoxy-1-[[(1S,3S)-3-propylcyclopentanecarbonyl]amino]propyl]oxan-2-yl]sulfanylethyl 2,5-dihydroxybenzoate?
The IUPAC name of 2-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-[(1R,2R)-2-hydroxy-1-[[(2S,4R)-1-methyl-4-propylpyrrolidine-2-carbonyl]amino]propyl]oxan-2-yl]sulfanylethyl 2,5-dihydroxybenzoate;2-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-[(1R,2R)-2-hydroxy-1-[[(1S,3S)-3-propylcyclopentanecarbonyl]amino]propyl]oxan-2-yl]sulfanylethyl 2,5-dihydroxybenzoate;2-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-[(1R,2R)-2-methoxy-1-[[(2S,4R)-1-methyl-4-propylpyrrolidine-2-carbonyl]amino]propyl]oxan-2-yl]sulfanylethyl 2,5-dihydroxybenzoate;2-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-[(1R,2R)-2-methoxy-1-[[(1S,3S)-3-propylcyclopentanecarbonyl]amino]propyl]oxan-2-yl]sulfanylethyl 2,5-dihydroxybenzoate (CID 160740124) is 2-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-[(1R,2R)-2-hydroxy-1-[[(2S,4R)-1-methyl-4-propylpyrrolidine-2-carbonyl]amino]propyl]oxan-2-yl]sulfanylethyl 2,5-dihydroxybenzoate;2-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-[(1R,2R)-2-hydroxy-1-[[(1S,3S)-3-propylcyclopentanecarbonyl]amino]propyl]oxan-2-yl]sulfanylethyl 2,5-dihydroxybenzoate;2-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-[(1R,2R)-2-methoxy-1-[[(2S,4R)-1-methyl-4-propylpyrrolidine-2-carbonyl]amino]propyl]oxan-2-yl]sulfanylethyl 2,5-dihydroxybenzoate;2-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-[(1R,2R)-2-methoxy-1-[[(1S,3S)-3-propylcyclopentanecarbonyl]amino]propyl]oxan-2-yl]sulfanylethyl 2,5-dihydroxybenzoate.
What is the SMILES notation for 2-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-[(1R,2R)-2-hydroxy-1-[[(2S,4R)-1-methyl-4-propylpyrrolidine-2-carbonyl]amino]propyl]oxan-2-yl]sulfanylethyl 2,5-dihydroxybenzoate;2-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-[(1R,2R)-2-hydroxy-1-[[(1S,3S)-3-propylcyclopentanecarbonyl]amino]propyl]oxan-2-yl]sulfanylethyl 2,5-dihydroxybenzoate;2-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-[(1R,2R)-2-methoxy-1-[[(2S,4R)-1-methyl-4-propylpyrrolidine-2-carbonyl]amino]propyl]oxan-2-yl]sulfanylethyl 2,5-dihydroxybenzoate;2-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-[(1R,2R)-2-methoxy-1-[[(1S,3S)-3-propylcyclopentanecarbonyl]amino]propyl]oxan-2-yl]sulfanylethyl 2,5-dihydroxybenzoate?
The canonical SMILES for 2-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-[(1R,2R)-2-hydroxy-1-[[(2S,4R)-1-methyl-4-propylpyrrolidine-2-carbonyl]amino]propyl]oxan-2-yl]sulfanylethyl 2,5-dihydroxybenzoate;2-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-[(1R,2R)-2-hydroxy-1-[[(1S,3S)-3-propylcyclopentanecarbonyl]amino]propyl]oxan-2-yl]sulfanylethyl 2,5-dihydroxybenzoate;2-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-[(1R,2R)-2-methoxy-1-[[(2S,4R)-1-methyl-4-propylpyrrolidine-2-carbonyl]amino]propyl]oxan-2-yl]sulfanylethyl 2,5-dihydroxybenzoate;2-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-[(1R,2R)-2-methoxy-1-[[(1S,3S)-3-propylcyclopentanecarbonyl]amino]propyl]oxan-2-yl]sulfanylethyl 2,5-dihydroxybenzoate is CCC[C@@H]1C[C@@H](C(=O)N[C@@H]([C@H]2O[C@H](SCCOC(=O)c3cc(O)ccc3O)[C@H](O)[C@@H](O)[C@H]2O)[C@@H](C)O)N(C)C1.CCC[C@@H]1C[C@@H](C(=O)N[C@@H]([C@H]2O[C@H](SCCOC(=O)c3cc(O)ccc3O)[C@H](O)[C@@H](O)[C@H]2O)[C@@H](C)OC)N(C)C1.CCC[C@H]1CC[C@H](C(=O)N[C@@H]([C@H]2O[C@H](SCCOC(=O)c3cc(O)ccc3O)[C@H](O)[C@@H](O)[C@H]2O)[C@@H](C)O)C1.CCC[C@H]1CC[C@H](C(=O)N[C@@H]([C@H]2O[C@H](SCCOC(=O)c3cc(O)ccc3O)[C@H](O)[C@@H](O)[C@H]2O)[C@@H](C)OC)C1.
What is the InChIKey of 2-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-[(1R,2R)-2-hydroxy-1-[[(2S,4R)-1-methyl-4-propylpyrrolidine-2-carbonyl]amino]propyl]oxan-2-yl]sulfanylethyl 2,5-dihydroxybenzoate;2-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-[(1R,2R)-2-hydroxy-1-[[(1S,3S)-3-propylcyclopentanecarbonyl]amino]propyl]oxan-2-yl]sulfanylethyl 2,5-dihydroxybenzoate;2-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-[(1R,2R)-2-methoxy-1-[[(2S,4R)-1-methyl-4-propylpyrrolidine-2-carbonyl]amino]propyl]oxan-2-yl]sulfanylethyl 2,5-dihydroxybenzoate;2-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-[(1R,2R)-2-methoxy-1-[[(1S,3S)-3-propylcyclopentanecarbonyl]amino]propyl]oxan-2-yl]sulfanylethyl 2,5-dihydroxybenzoate?
The InChIKey is RVLRYYBORBIIOP-FZEIZDKKSA-N. The full InChI is InChI=1S/C27H42N2O10S.C27H41NO10S.C26H40N2O10S.C26H39NO10S/c1-5-6-15-11-18(29(3)13-15)25(35)28-20(14(2)37-4)24-22(33)21(32)23(34)27(39-24)40-10-9-38-26(36)17-12-16(30)7-8-19(17)31;1-4-5-15-6-7-16(12-15)25(34)28-20(14(2)36-3)24-22(32)21(31)23(33)27(38-24)39-11-10-37-26(35)18-13-17(29)8-9-19(18)30;1-4-5-14-10-17(28(3)12-14)24(35)27-19(13(2)29)23-21(33)20(32)22(34)26(38-23)39-9-8-37-25(36)16-11-15(30)6-7-18(16)31;1-3-4-14-5-6-15(11-14)24(34)27-19(13(2)28)23-21(32)20(31)22(33)26(37-23)38-10-9-36-25(35)17-12-16(29)7-8-18(17)30/h7-8,12,14-15,18,20-24,27,30-34H,5-6,9-11,13H2,1-4H3,(H,28,35);8-9,13-16,20-24,27,29-33H,4-7,10-12H2,1-3H3,(H,28,34);6-7,11,13-14,17,19-23,26,29-34H,4-5,8-10,12H2,1-3H3,(H,27,35);7-8,12-15,19-23,26,28-33H,3-6,9-11H2,1-2H3,(H,27,34)/t14-,15-,18+,20-,21+,22-,23-,24-,27-;14-,15+,16+,20-,21+,22-,23-,24-,27-;13-,14-,17+,19-,20+,21-,22-,23-,26-;13-,14+,15+,19-,20+,21-,22-,23-,26-/m1111/s1.
What are the key properties of 2-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-[(1R,2R)-2-hydroxy-1-[[(2S,4R)-1-methyl-4-propylpyrrolidine-2-carbonyl]amino]propyl]oxan-2-yl]sulfanylethyl 2,5-dihydroxybenzoate;2-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-[(1R,2R)-2-hydroxy-1-[[(1S,3S)-3-propylcyclopentanecarbonyl]amino]propyl]oxan-2-yl]sulfanylethyl 2,5-dihydroxybenzoate;2-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-[(1R,2R)-2-methoxy-1-[[(2S,4R)-1-methyl-4-propylpyrrolidine-2-carbonyl]amino]propyl]oxan-2-yl]sulfanylethyl 2,5-dihydroxybenzoate;2-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-[(1R,2R)-2-methoxy-1-[[(1S,3S)-3-propylcyclopentanecarbonyl]amino]propyl]oxan-2-yl]sulfanylethyl 2,5-dihydroxybenzoate?
2-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-[(1R,2R)-2-hydroxy-1-[[(2S,4R)-1-methyl-4-propylpyrrolidine-2-carbonyl]amino]propyl]oxan-2-yl]sulfanylethyl 2,5-dihydroxybenzoate;2-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-[(1R,2R)-2-hydroxy-1-[[(1S,3S)-3-propylcyclopentanecarbonyl]amino]propyl]oxan-2-yl]sulfanylethyl 2,5-dihydroxybenzoate;2-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-[(1R,2R)-2-methoxy-1-[[(2S,4R)-1-methyl-4-propylpyrrolidine-2-carbonyl]amino]propyl]oxan-2-yl]sulfanylethyl 2,5-dihydroxybenzoate;2-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-[(1R,2R)-2-methoxy-1-[[(1S,3S)-3-propylcyclopentanecarbonyl]amino]propyl]oxan-2-yl]sulfanylethyl 2,5-dihydroxybenzoate has a molecular weight of 2288.73 g/mol, XLogP of 2.63, 46 rotatable bonds, 26 hydrogen bond donors, and 46 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-[(1R,2R)-2-hydroxy-1-[[(2S,4R)-1-methyl-4-propylpyrrolidine-2-carbonyl]amino]propyl]oxan-2-yl]sulfanylethyl 2,5-dihydroxybenzoate;2-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-[(1R,2R)-2-hydroxy-1-[[(1S,3S)-3-propylcyclopentanecarbonyl]amino]propyl]oxan-2-yl]sulfanylethyl 2,5-dihydroxybenzoate;2-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-[(1R,2R)-2-methoxy-1-[[(2S,4R)-1-methyl-4-propylpyrrolidine-2-carbonyl]amino]propyl]oxan-2-yl]sulfanylethyl 2,5-dihydroxybenzoate;2-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-[(1R,2R)-2-methoxy-1-[[(1S,3S)-3-propylcyclopentanecarbonyl]amino]propyl]oxan-2-yl]sulfanylethyl 2,5-dihydroxybenzoate is sourced from PubChem (CID 160740124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).