About 2-[2-[2-[(1S,2S,3R,5S)-5-amino-4-[(2R,3R,4S,5S,6R)-6-[[(3-aminocyclobutyl)methylamino]methyl]-3,4,5-trihydroxyoxan-2-yl]oxy-2-[(2R,3R,4R,5R)-3,5-dihydroxy-5-methyl-4-(methylamino)oxan-2-yl]oxy-3-hydroxycyclohexyl]acetyl]-2-hydroxycyclopropyl]guanidine;2-[2-[2-[(1S,2S,3R,5S)-5-amino-4-[(2R,3R,4S,5S,6R)-6-[[(2-amino-3-hydroxypropyl)amino]methyl]-3,4,5-trihydroxyoxan-2-yl]oxy-2-[(2R,3R,4R,5R)-3,5-dihydroxy-5-methyl-4-(methylamino)oxan-2-yl]oxy-3-hydroxycyclohexyl]acetyl]-2-hydroxycyclopropyl]guanidine;2-[2-[2-[(1S,2S,3R,5S)-5-amino-2-[(2R,3R,4R,5R)-3,5-dihydroxy-5-methyl-4-(methylamino)oxan-2-yl]oxy-4-[(2R,3R,4S,5S,6R)-6-[(2,3-dihydroxypropylamino)methyl]-3,4,5-trihydroxyoxan-2-yl]oxy-3-hydroxycyclohexyl]acetyl]-2-hydroxycyclopropyl]guanidine
2-[2-[2-[(1S,2S,3R,5S)-5-amino-4-[(2R,3R,4S,5S,6R)-6-[[(3-aminocyclobutyl)methylamino]methyl]-3,4,5-trihydroxyoxan-2-yl]oxy-2-[(2R,3R,4R,5R)-3,5-dihydroxy-5-methyl-4-(methylamino)oxan-2-yl]oxy-3-hydroxycyclohexyl]acetyl]-2-hydroxycyclopropyl]guanidine;2-[2-[2-[(1S,2S,3R,5S)-5-amino-4-[(2R,3R,4S,5S,6R)-6-[[(2-amino-3-hydroxypropyl)amino]methyl]-3,4,5-trihydroxyoxan-2-yl]oxy-2-[(2R,3R,4R,5R)-3,5-dihydroxy-5-methyl-4-(methylamino)oxan-2-yl]oxy-3-hydroxycyclohexyl]acetyl]-2-hydroxycyclopropyl]guanidine;2-[2-[2-[(1S,2S,3R,5S)-5-amino-2-[(2R,3R,4R,5R)-3,5-dihydroxy-5-methyl-4-(methylamino)oxan-2-yl]oxy-4-[(2R,3R,4S,5S,6R)-6-[(2,3-dihydroxypropylamino)methyl]-3,4,5-trihydroxyoxan-2-yl]oxy-3-hydroxycyclohexyl]acetyl]-2-hydroxycyclopropyl]guanidine (PubChem CID 159364599) has the molecular formula C86H160N20O39
and a molecular weight of 2098.33 g/mol. Its IUPAC name is 2-[2-[2-[(1S,2S,3R,5S)-5-amino-4-[(2R,3R,4S,5S,6R)-6-[[(3-aminocyclobutyl)methylamino]methyl]-3,4,5-trihydroxyoxan-2-yl]oxy-2-[(2R,3R,4R,5R)-3,5-dihydroxy-5-methyl-4-(methylamino)oxan-2-yl]oxy-3-hydroxycyclohexyl]acetyl]-2-hydroxycyclopropyl]guanidine;2-[2-[2-[(1S,2S,3R,5S)-5-amino-4-[(2R,3R,4S,5S,6R)-6-[[(2-amino-3-hydroxypropyl)amino]methyl]-3,4,5-trihydroxyoxan-2-yl]oxy-2-[(2R,3R,4R,5R)-3,5-dihydroxy-5-methyl-4-(methylamino)oxan-2-yl]oxy-3-hydroxycyclohexyl]acetyl]-2-hydroxycyclopropyl]guanidine;2-[2-[2-[(1S,2S,3R,5S)-5-amino-2-[(2R,3R,4R,5R)-3,5-dihydroxy-5-methyl-4-(methylamino)oxan-2-yl]oxy-4-[(2R,3R,4S,5S,6R)-6-[(2,3-dihydroxypropylamino)methyl]-3,4,5-trihydroxyoxan-2-yl]oxy-3-hydroxycyclohexyl]acetyl]-2-hydroxycyclopropyl]guanidine.
Frequently Asked Questions
What is the IUPAC name of 2-[2-[2-[(1S,2S,3R,5S)-5-amino-4-[(2R,3R,4S,5S,6R)-6-[[(3-aminocyclobutyl)methylamino]methyl]-3,4,5-trihydroxyoxan-2-yl]oxy-2-[(2R,3R,4R,5R)-3,5-dihydroxy-5-methyl-4-(methylamino)oxan-2-yl]oxy-3-hydroxycyclohexyl]acetyl]-2-hydroxycyclopropyl]guanidine;2-[2-[2-[(1S,2S,3R,5S)-5-amino-4-[(2R,3R,4S,5S,6R)-6-[[(2-amino-3-hydroxypropyl)amino]methyl]-3,4,5-trihydroxyoxan-2-yl]oxy-2-[(2R,3R,4R,5R)-3,5-dihydroxy-5-methyl-4-(methylamino)oxan-2-yl]oxy-3-hydroxycyclohexyl]acetyl]-2-hydroxycyclopropyl]guanidine;2-[2-[2-[(1S,2S,3R,5S)-5-amino-2-[(2R,3R,4R,5R)-3,5-dihydroxy-5-methyl-4-(methylamino)oxan-2-yl]oxy-4-[(2R,3R,4S,5S,6R)-6-[(2,3-dihydroxypropylamino)methyl]-3,4,5-trihydroxyoxan-2-yl]oxy-3-hydroxycyclohexyl]acetyl]-2-hydroxycyclopropyl]guanidine?
The IUPAC name of 2-[2-[2-[(1S,2S,3R,5S)-5-amino-4-[(2R,3R,4S,5S,6R)-6-[[(3-aminocyclobutyl)methylamino]methyl]-3,4,5-trihydroxyoxan-2-yl]oxy-2-[(2R,3R,4R,5R)-3,5-dihydroxy-5-methyl-4-(methylamino)oxan-2-yl]oxy-3-hydroxycyclohexyl]acetyl]-2-hydroxycyclopropyl]guanidine;2-[2-[2-[(1S,2S,3R,5S)-5-amino-4-[(2R,3R,4S,5S,6R)-6-[[(2-amino-3-hydroxypropyl)amino]methyl]-3,4,5-trihydroxyoxan-2-yl]oxy-2-[(2R,3R,4R,5R)-3,5-dihydroxy-5-methyl-4-(methylamino)oxan-2-yl]oxy-3-hydroxycyclohexyl]acetyl]-2-hydroxycyclopropyl]guanidine;2-[2-[2-[(1S,2S,3R,5S)-5-amino-2-[(2R,3R,4R,5R)-3,5-dihydroxy-5-methyl-4-(methylamino)oxan-2-yl]oxy-4-[(2R,3R,4S,5S,6R)-6-[(2,3-dihydroxypropylamino)methyl]-3,4,5-trihydroxyoxan-2-yl]oxy-3-hydroxycyclohexyl]acetyl]-2-hydroxycyclopropyl]guanidine (CID 159364599) is 2-[2-[2-[(1S,2S,3R,5S)-5-amino-4-[(2R,3R,4S,5S,6R)-6-[[(3-aminocyclobutyl)methylamino]methyl]-3,4,5-trihydroxyoxan-2-yl]oxy-2-[(2R,3R,4R,5R)-3,5-dihydroxy-5-methyl-4-(methylamino)oxan-2-yl]oxy-3-hydroxycyclohexyl]acetyl]-2-hydroxycyclopropyl]guanidine;2-[2-[2-[(1S,2S,3R,5S)-5-amino-4-[(2R,3R,4S,5S,6R)-6-[[(2-amino-3-hydroxypropyl)amino]methyl]-3,4,5-trihydroxyoxan-2-yl]oxy-2-[(2R,3R,4R,5R)-3,5-dihydroxy-5-methyl-4-(methylamino)oxan-2-yl]oxy-3-hydroxycyclohexyl]acetyl]-2-hydroxycyclopropyl]guanidine;2-[2-[2-[(1S,2S,3R,5S)-5-amino-2-[(2R,3R,4R,5R)-3,5-dihydroxy-5-methyl-4-(methylamino)oxan-2-yl]oxy-4-[(2R,3R,4S,5S,6R)-6-[(2,3-dihydroxypropylamino)methyl]-3,4,5-trihydroxyoxan-2-yl]oxy-3-hydroxycyclohexyl]acetyl]-2-hydroxycyclopropyl]guanidine.
What is the SMILES notation for 2-[2-[2-[(1S,2S,3R,5S)-5-amino-4-[(2R,3R,4S,5S,6R)-6-[[(3-aminocyclobutyl)methylamino]methyl]-3,4,5-trihydroxyoxan-2-yl]oxy-2-[(2R,3R,4R,5R)-3,5-dihydroxy-5-methyl-4-(methylamino)oxan-2-yl]oxy-3-hydroxycyclohexyl]acetyl]-2-hydroxycyclopropyl]guanidine;2-[2-[2-[(1S,2S,3R,5S)-5-amino-4-[(2R,3R,4S,5S,6R)-6-[[(2-amino-3-hydroxypropyl)amino]methyl]-3,4,5-trihydroxyoxan-2-yl]oxy-2-[(2R,3R,4R,5R)-3,5-dihydroxy-5-methyl-4-(methylamino)oxan-2-yl]oxy-3-hydroxycyclohexyl]acetyl]-2-hydroxycyclopropyl]guanidine;2-[2-[2-[(1S,2S,3R,5S)-5-amino-2-[(2R,3R,4R,5R)-3,5-dihydroxy-5-methyl-4-(methylamino)oxan-2-yl]oxy-4-[(2R,3R,4S,5S,6R)-6-[(2,3-dihydroxypropylamino)methyl]-3,4,5-trihydroxyoxan-2-yl]oxy-3-hydroxycyclohexyl]acetyl]-2-hydroxycyclopropyl]guanidine?
The canonical SMILES for 2-[2-[2-[(1S,2S,3R,5S)-5-amino-4-[(2R,3R,4S,5S,6R)-6-[[(3-aminocyclobutyl)methylamino]methyl]-3,4,5-trihydroxyoxan-2-yl]oxy-2-[(2R,3R,4R,5R)-3,5-dihydroxy-5-methyl-4-(methylamino)oxan-2-yl]oxy-3-hydroxycyclohexyl]acetyl]-2-hydroxycyclopropyl]guanidine;2-[2-[2-[(1S,2S,3R,5S)-5-amino-4-[(2R,3R,4S,5S,6R)-6-[[(2-amino-3-hydroxypropyl)amino]methyl]-3,4,5-trihydroxyoxan-2-yl]oxy-2-[(2R,3R,4R,5R)-3,5-dihydroxy-5-methyl-4-(methylamino)oxan-2-yl]oxy-3-hydroxycyclohexyl]acetyl]-2-hydroxycyclopropyl]guanidine;2-[2-[2-[(1S,2S,3R,5S)-5-amino-2-[(2R,3R,4R,5R)-3,5-dihydroxy-5-methyl-4-(methylamino)oxan-2-yl]oxy-4-[(2R,3R,4S,5S,6R)-6-[(2,3-dihydroxypropylamino)methyl]-3,4,5-trihydroxyoxan-2-yl]oxy-3-hydroxycyclohexyl]acetyl]-2-hydroxycyclopropyl]guanidine is CN[C@@H]1[C@@H](O)[C@@H](OC2[C@H](CC(=O)C3(O)CC3N=C(N)N)C[C@H](N)C(O[C@H]3O[C@H](CNCC(N)CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H]2O)OC[C@]1(C)O.CN[C@@H]1[C@@H](O)[C@@H](O[C@H]2[C@H](CC(=O)C3(O)CC3N=C(N)N)C[C@H](N)C(O[C@H]3O[C@H](CNCC(O)CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H]2O)OC[C@]1(C)O.CN[C@@H]1[C@@H](O)[C@@H](O[C@H]2[C@H](CC(=O)C3(O)CC3N=C(N)N)C[C@H](N)C(O[C@H]3O[C@H](CNCC4CC(N)C4)[C@@H](O)[C@H](O)[C@H]3O)[C@@H]2O)OC[C@]1(C)O.
What is the InChIKey of 2-[2-[2-[(1S,2S,3R,5S)-5-amino-4-[(2R,3R,4S,5S,6R)-6-[[(3-aminocyclobutyl)methylamino]methyl]-3,4,5-trihydroxyoxan-2-yl]oxy-2-[(2R,3R,4R,5R)-3,5-dihydroxy-5-methyl-4-(methylamino)oxan-2-yl]oxy-3-hydroxycyclohexyl]acetyl]-2-hydroxycyclopropyl]guanidine;2-[2-[2-[(1S,2S,3R,5S)-5-amino-4-[(2R,3R,4S,5S,6R)-6-[[(2-amino-3-hydroxypropyl)amino]methyl]-3,4,5-trihydroxyoxan-2-yl]oxy-2-[(2R,3R,4R,5R)-3,5-dihydroxy-5-methyl-4-(methylamino)oxan-2-yl]oxy-3-hydroxycyclohexyl]acetyl]-2-hydroxycyclopropyl]guanidine;2-[2-[2-[(1S,2S,3R,5S)-5-amino-2-[(2R,3R,4R,5R)-3,5-dihydroxy-5-methyl-4-(methylamino)oxan-2-yl]oxy-4-[(2R,3R,4S,5S,6R)-6-[(2,3-dihydroxypropylamino)methyl]-3,4,5-trihydroxyoxan-2-yl]oxy-3-hydroxycyclohexyl]acetyl]-2-hydroxycyclopropyl]guanidine?
The InChIKey is LIYUFXRWSLKIEO-MPLAHVRFSA-N. The full InChI is InChI=1S/C30H55N7O12.C28H53N7O13.C28H52N6O14/c1-29(44)10-46-26(22(43)25(29)35-2)48-23-12(6-17(38)30(45)7-16(30)37-28(33)34)5-14(32)24(21(23)42)49-27-20(41)19(40)18(39)15(47-27)9-36-8-11-3-13(31)4-11;1-27(43)9-45-24(20(42)23(27)33-2)47-21-10(4-15(37)28(44)5-14(28)35-26(31)32)3-12(30)22(19(21)41)48-25-18(40)17(39)16(38)13(46-25)7-34-6-11(29)8-36;1-27(43)9-45-24(20(42)23(27)32-2)47-21-10(4-15(37)28(44)5-14(28)34-26(30)31)3-12(29)22(19(21)41)48-25-18(40)17(39)16(38)13(46-25)7-33-6-11(36)8-35/h11-16,18-27,35-36,39-45H,3-10,31-32H2,1-2H3,(H4,33,34,37);10-14,16-25,33-34,36,38-44H,3-9,29-30H2,1-2H3,(H4,31,32,35);10-14,16-25,32-33,35-36,38-44H,3-9,29H2,1-2H3,(H4,30,31,34)/t11?,12-,13?,14-,15+,16?,18+,19-,20+,21+,22+,23-,24?,25+,26+,27+,29-,30?;10-,11?,12-,13+,14?,16+,17-,18+,19+,20+,21?,22?,23+,24+,25+,27-,28?;10-,11?,12-,13+,14?,16+,17-,18+,19+,20+,21-,22?,23+,24+,25+,27-,28?/m000/s1.
What are the key properties of 2-[2-[2-[(1S,2S,3R,5S)-5-amino-4-[(2R,3R,4S,5S,6R)-6-[[(3-aminocyclobutyl)methylamino]methyl]-3,4,5-trihydroxyoxan-2-yl]oxy-2-[(2R,3R,4R,5R)-3,5-dihydroxy-5-methyl-4-(methylamino)oxan-2-yl]oxy-3-hydroxycyclohexyl]acetyl]-2-hydroxycyclopropyl]guanidine;2-[2-[2-[(1S,2S,3R,5S)-5-amino-4-[(2R,3R,4S,5S,6R)-6-[[(2-amino-3-hydroxypropyl)amino]methyl]-3,4,5-trihydroxyoxan-2-yl]oxy-2-[(2R,3R,4R,5R)-3,5-dihydroxy-5-methyl-4-(methylamino)oxan-2-yl]oxy-3-hydroxycyclohexyl]acetyl]-2-hydroxycyclopropyl]guanidine;2-[2-[2-[(1S,2S,3R,5S)-5-amino-2-[(2R,3R,4R,5R)-3,5-dihydroxy-5-methyl-4-(methylamino)oxan-2-yl]oxy-4-[(2R,3R,4S,5S,6R)-6-[(2,3-dihydroxypropylamino)methyl]-3,4,5-trihydroxyoxan-2-yl]oxy-3-hydroxycyclohexyl]acetyl]-2-hydroxycyclopropyl]guanidine?
2-[2-[2-[(1S,2S,3R,5S)-5-amino-4-[(2R,3R,4S,5S,6R)-6-[[(3-aminocyclobutyl)methylamino]methyl]-3,4,5-trihydroxyoxan-2-yl]oxy-2-[(2R,3R,4R,5R)-3,5-dihydroxy-5-methyl-4-(methylamino)oxan-2-yl]oxy-3-hydroxycyclohexyl]acetyl]-2-hydroxycyclopropyl]guanidine;2-[2-[2-[(1S,2S,3R,5S)-5-amino-4-[(2R,3R,4S,5S,6R)-6-[[(2-amino-3-hydroxypropyl)amino]methyl]-3,4,5-trihydroxyoxan-2-yl]oxy-2-[(2R,3R,4R,5R)-3,5-dihydroxy-5-methyl-4-(methylamino)oxan-2-yl]oxy-3-hydroxycyclohexyl]acetyl]-2-hydroxycyclopropyl]guanidine;2-[2-[2-[(1S,2S,3R,5S)-5-amino-2-[(2R,3R,4R,5R)-3,5-dihydroxy-5-methyl-4-(methylamino)oxan-2-yl]oxy-4-[(2R,3R,4S,5S,6R)-6-[(2,3-dihydroxypropylamino)methyl]-3,4,5-trihydroxyoxan-2-yl]oxy-3-hydroxycyclohexyl]acetyl]-2-hydroxycyclopropyl]guanidine has a molecular weight of 2098.33 g/mol, XLogP of -22.63, 41 rotatable bonds, 41 hydrogen bond donors, and 53 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-[(1S,2S,3R,5S)-5-amino-4-[(2R,3R,4S,5S,6R)-6-[[(3-aminocyclobutyl)methylamino]methyl]-3,4,5-trihydroxyoxan-2-yl]oxy-2-[(2R,3R,4R,5R)-3,5-dihydroxy-5-methyl-4-(methylamino)oxan-2-yl]oxy-3-hydroxycyclohexyl]acetyl]-2-hydroxycyclopropyl]guanidine;2-[2-[2-[(1S,2S,3R,5S)-5-amino-4-[(2R,3R,4S,5S,6R)-6-[[(2-amino-3-hydroxypropyl)amino]methyl]-3,4,5-trihydroxyoxan-2-yl]oxy-2-[(2R,3R,4R,5R)-3,5-dihydroxy-5-methyl-4-(methylamino)oxan-2-yl]oxy-3-hydroxycyclohexyl]acetyl]-2-hydroxycyclopropyl]guanidine;2-[2-[2-[(1S,2S,3R,5S)-5-amino-2-[(2R,3R,4R,5R)-3,5-dihydroxy-5-methyl-4-(methylamino)oxan-2-yl]oxy-4-[(2R,3R,4S,5S,6R)-6-[(2,3-dihydroxypropylamino)methyl]-3,4,5-trihydroxyoxan-2-yl]oxy-3-hydroxycyclohexyl]acetyl]-2-hydroxycyclopropyl]guanidine is sourced from PubChem (CID 159364599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).