About 2-[(3S)-5-[(1S,2S,3R,5S)-5-amino-4-[[(2S,3R)-6-(aminomethyl)-3-(3-aminopropylamino)-3,4-dihydro-2H-pyran-2-yl]oxy]-2-[(2R,3R,4R,5R)-3,5-dihydroxy-5-methyl-4-(methylamino)oxan-2-yl]oxy-3-hydroxycyclohexyl]-3-hydroxy-4-oxopentyl]guanidine;2-[2-[2-[(1S,2S,3R,5S)-5-amino-4-[[(2S,3R)-6-(aminomethyl)-3-(diaminomethylideneamino)-3,4-dihydro-2H-pyran-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-[(3S)-5-[(1S,2S,3R,5S)-5-amino-4-[[(2S,3R)-6-(aminomethyl)-3-(diaminomethylideneamino)-3,4-dihydro-2H-pyran-2-yl]oxy]-2-[(2R,3R,4R,5R)-3,5-dihydroxy-5-methyl-4-(methylamino)oxan-2-yl]oxy-3-hydroxycyclohexyl]-3-hydroxy-4-oxopentyl]guanidine
2-[(3S)-5-[(1S,2S,3R,5S)-5-amino-4-[[(2S,3R)-6-(aminomethyl)-3-(3-aminopropylamino)-3,4-dihydro-2H-pyran-2-yl]oxy]-2-[(2R,3R,4R,5R)-3,5-dihydroxy-5-methyl-4-(methylamino)oxan-2-yl]oxy-3-hydroxycyclohexyl]-3-hydroxy-4-oxopentyl]guanidine;2-[2-[2-[(1S,2S,3R,5S)-5-amino-4-[[(2S,3R)-6-(aminomethyl)-3-(diaminomethylideneamino)-3,4-dihydro-2H-pyran-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-[(3S)-5-[(1S,2S,3R,5S)-5-amino-4-[[(2S,3R)-6-(aminomethyl)-3-(diaminomethylideneamino)-3,4-dihydro-2H-pyran-2-yl]oxy]-2-[(2R,3R,4R,5R)-3,5-dihydroxy-5-methyl-4-(methylamino)oxan-2-yl]oxy-3-hydroxycyclohexyl]-3-hydroxy-4-oxopentyl]guanidine (PubChem CID 158993102) has the molecular formula C80H150N26O27
and a molecular weight of 1908.23 g/mol. Its IUPAC name is 2-[(3S)-5-[(1S,2S,3R,5S)-5-amino-4-[[(2S,3R)-6-(aminomethyl)-3-(3-aminopropylamino)-3,4-dihydro-2H-pyran-2-yl]oxy]-2-[(2R,3R,4R,5R)-3,5-dihydroxy-5-methyl-4-(methylamino)oxan-2-yl]oxy-3-hydroxycyclohexyl]-3-hydroxy-4-oxopentyl]guanidine;2-[2-[2-[(1S,2S,3R,5S)-5-amino-4-[[(2S,3R)-6-(aminomethyl)-3-(diaminomethylideneamino)-3,4-dihydro-2H-pyran-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-[(3S)-5-[(1S,2S,3R,5S)-5-amino-4-[[(2S,3R)-6-(aminomethyl)-3-(diaminomethylideneamino)-3,4-dihydro-2H-pyran-2-yl]oxy]-2-[(2R,3R,4R,5R)-3,5-dihydroxy-5-methyl-4-(methylamino)oxan-2-yl]oxy-3-hydroxycyclohexyl]-3-hydroxy-4-oxopentyl]guanidine.
Frequently Asked Questions
What is the IUPAC name of 2-[(3S)-5-[(1S,2S,3R,5S)-5-amino-4-[[(2S,3R)-6-(aminomethyl)-3-(3-aminopropylamino)-3,4-dihydro-2H-pyran-2-yl]oxy]-2-[(2R,3R,4R,5R)-3,5-dihydroxy-5-methyl-4-(methylamino)oxan-2-yl]oxy-3-hydroxycyclohexyl]-3-hydroxy-4-oxopentyl]guanidine;2-[2-[2-[(1S,2S,3R,5S)-5-amino-4-[[(2S,3R)-6-(aminomethyl)-3-(diaminomethylideneamino)-3,4-dihydro-2H-pyran-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-[(3S)-5-[(1S,2S,3R,5S)-5-amino-4-[[(2S,3R)-6-(aminomethyl)-3-(diaminomethylideneamino)-3,4-dihydro-2H-pyran-2-yl]oxy]-2-[(2R,3R,4R,5R)-3,5-dihydroxy-5-methyl-4-(methylamino)oxan-2-yl]oxy-3-hydroxycyclohexyl]-3-hydroxy-4-oxopentyl]guanidine?
The IUPAC name of 2-[(3S)-5-[(1S,2S,3R,5S)-5-amino-4-[[(2S,3R)-6-(aminomethyl)-3-(3-aminopropylamino)-3,4-dihydro-2H-pyran-2-yl]oxy]-2-[(2R,3R,4R,5R)-3,5-dihydroxy-5-methyl-4-(methylamino)oxan-2-yl]oxy-3-hydroxycyclohexyl]-3-hydroxy-4-oxopentyl]guanidine;2-[2-[2-[(1S,2S,3R,5S)-5-amino-4-[[(2S,3R)-6-(aminomethyl)-3-(diaminomethylideneamino)-3,4-dihydro-2H-pyran-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-[(3S)-5-[(1S,2S,3R,5S)-5-amino-4-[[(2S,3R)-6-(aminomethyl)-3-(diaminomethylideneamino)-3,4-dihydro-2H-pyran-2-yl]oxy]-2-[(2R,3R,4R,5R)-3,5-dihydroxy-5-methyl-4-(methylamino)oxan-2-yl]oxy-3-hydroxycyclohexyl]-3-hydroxy-4-oxopentyl]guanidine (CID 158993102) is 2-[(3S)-5-[(1S,2S,3R,5S)-5-amino-4-[[(2S,3R)-6-(aminomethyl)-3-(3-aminopropylamino)-3,4-dihydro-2H-pyran-2-yl]oxy]-2-[(2R,3R,4R,5R)-3,5-dihydroxy-5-methyl-4-(methylamino)oxan-2-yl]oxy-3-hydroxycyclohexyl]-3-hydroxy-4-oxopentyl]guanidine;2-[2-[2-[(1S,2S,3R,5S)-5-amino-4-[[(2S,3R)-6-(aminomethyl)-3-(diaminomethylideneamino)-3,4-dihydro-2H-pyran-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-[(3S)-5-[(1S,2S,3R,5S)-5-amino-4-[[(2S,3R)-6-(aminomethyl)-3-(diaminomethylideneamino)-3,4-dihydro-2H-pyran-2-yl]oxy]-2-[(2R,3R,4R,5R)-3,5-dihydroxy-5-methyl-4-(methylamino)oxan-2-yl]oxy-3-hydroxycyclohexyl]-3-hydroxy-4-oxopentyl]guanidine.
What is the SMILES notation for 2-[(3S)-5-[(1S,2S,3R,5S)-5-amino-4-[[(2S,3R)-6-(aminomethyl)-3-(3-aminopropylamino)-3,4-dihydro-2H-pyran-2-yl]oxy]-2-[(2R,3R,4R,5R)-3,5-dihydroxy-5-methyl-4-(methylamino)oxan-2-yl]oxy-3-hydroxycyclohexyl]-3-hydroxy-4-oxopentyl]guanidine;2-[2-[2-[(1S,2S,3R,5S)-5-amino-4-[[(2S,3R)-6-(aminomethyl)-3-(diaminomethylideneamino)-3,4-dihydro-2H-pyran-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-[(3S)-5-[(1S,2S,3R,5S)-5-amino-4-[[(2S,3R)-6-(aminomethyl)-3-(diaminomethylideneamino)-3,4-dihydro-2H-pyran-2-yl]oxy]-2-[(2R,3R,4R,5R)-3,5-dihydroxy-5-methyl-4-(methylamino)oxan-2-yl]oxy-3-hydroxycyclohexyl]-3-hydroxy-4-oxopentyl]guanidine?
The canonical SMILES for 2-[(3S)-5-[(1S,2S,3R,5S)-5-amino-4-[[(2S,3R)-6-(aminomethyl)-3-(3-aminopropylamino)-3,4-dihydro-2H-pyran-2-yl]oxy]-2-[(2R,3R,4R,5R)-3,5-dihydroxy-5-methyl-4-(methylamino)oxan-2-yl]oxy-3-hydroxycyclohexyl]-3-hydroxy-4-oxopentyl]guanidine;2-[2-[2-[(1S,2S,3R,5S)-5-amino-4-[[(2S,3R)-6-(aminomethyl)-3-(diaminomethylideneamino)-3,4-dihydro-2H-pyran-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-[(3S)-5-[(1S,2S,3R,5S)-5-amino-4-[[(2S,3R)-6-(aminomethyl)-3-(diaminomethylideneamino)-3,4-dihydro-2H-pyran-2-yl]oxy]-2-[(2R,3R,4R,5R)-3,5-dihydroxy-5-methyl-4-(methylamino)oxan-2-yl]oxy-3-hydroxycyclohexyl]-3-hydroxy-4-oxopentyl]guanidine is CN[C@@H]1[C@@H](O)[C@@H](OC2[C@H](CC(=O)[C@@H](O)CCN=C(N)N)C[C@H](N)C(O[C@H]3OC(CN)=CC[C@H]3N=C(N)N)[C@@H]2O)OC[C@]1(C)O.CN[C@@H]1[C@@H](O)[C@@H](OC2[C@H](CC(=O)[C@@H](O)CCN=C(N)N)C[C@H](N)C(O[C@H]3OC(CN)=CC[C@H]3NCCCN)[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]3OC(CN)=CC[C@H]3N=C(N)N)[C@@H]2O)OC[C@]1(C)O.
What is the InChIKey of 2-[(3S)-5-[(1S,2S,3R,5S)-5-amino-4-[[(2S,3R)-6-(aminomethyl)-3-(3-aminopropylamino)-3,4-dihydro-2H-pyran-2-yl]oxy]-2-[(2R,3R,4R,5R)-3,5-dihydroxy-5-methyl-4-(methylamino)oxan-2-yl]oxy-3-hydroxycyclohexyl]-3-hydroxy-4-oxopentyl]guanidine;2-[2-[2-[(1S,2S,3R,5S)-5-amino-4-[[(2S,3R)-6-(aminomethyl)-3-(diaminomethylideneamino)-3,4-dihydro-2H-pyran-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-[(3S)-5-[(1S,2S,3R,5S)-5-amino-4-[[(2S,3R)-6-(aminomethyl)-3-(diaminomethylideneamino)-3,4-dihydro-2H-pyran-2-yl]oxy]-2-[(2R,3R,4R,5R)-3,5-dihydroxy-5-methyl-4-(methylamino)oxan-2-yl]oxy-3-hydroxycyclohexyl]-3-hydroxy-4-oxopentyl]guanidine?
The InChIKey is JQKHEYCHHOMVKS-SVXRBRIASA-N. The full InChI is InChI=1S/C28H54N8O9.C26H47N9O9.C26H49N9O9/c1-28(41)13-42-26(21(40)24(28)34-2)44-22-14(11-19(38)18(37)6-9-36-27(32)33)10-16(31)23(20(22)39)45-25-17(35-8-3-7-29)5-4-15(12-30)43-25;1-25(39)9-41-22(17(38)20(25)33-2)43-18-10(6-15(36)26(40)7-14(26)35-24(31)32)5-12(28)19(16(18)37)44-21-13(34-23(29)30)4-3-11(8-27)42-21;1-26(40)10-41-23(18(39)21(26)33-2)43-19-11(8-16(37)15(36)5-6-34-24(29)30)7-13(28)20(17(19)38)44-22-14(35-25(31)32)4-3-12(9-27)42-22/h4,14,16-18,20-26,34-35,37,39-41H,3,5-13,29-31H2,1-2H3,(H4,32,33,36);3,10,12-14,16-22,33,37-40H,4-9,27-28H2,1-2H3,(H4,29,30,34)(H4,31,32,35);3,11,13-15,17-23,33,36,38-40H,4-10,27-28H2,1-2H3,(H4,29,30,34)(H4,31,32,35)/t14-,16-,17+,18-,20+,21+,22?,23?,24+,25+,26+,28-;10-,12-,13+,14?,16+,17+,18-,19?,20+,21+,22+,25-,26?;11-,13-,14+,15-,17+,18+,19?,20?,21+,22+,23+,26-/m000/s1.
What are the key properties of 2-[(3S)-5-[(1S,2S,3R,5S)-5-amino-4-[[(2S,3R)-6-(aminomethyl)-3-(3-aminopropylamino)-3,4-dihydro-2H-pyran-2-yl]oxy]-2-[(2R,3R,4R,5R)-3,5-dihydroxy-5-methyl-4-(methylamino)oxan-2-yl]oxy-3-hydroxycyclohexyl]-3-hydroxy-4-oxopentyl]guanidine;2-[2-[2-[(1S,2S,3R,5S)-5-amino-4-[[(2S,3R)-6-(aminomethyl)-3-(diaminomethylideneamino)-3,4-dihydro-2H-pyran-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-[(3S)-5-[(1S,2S,3R,5S)-5-amino-4-[[(2S,3R)-6-(aminomethyl)-3-(diaminomethylideneamino)-3,4-dihydro-2H-pyran-2-yl]oxy]-2-[(2R,3R,4R,5R)-3,5-dihydroxy-5-methyl-4-(methylamino)oxan-2-yl]oxy-3-hydroxycyclohexyl]-3-hydroxy-4-oxopentyl]guanidine?
2-[(3S)-5-[(1S,2S,3R,5S)-5-amino-4-[[(2S,3R)-6-(aminomethyl)-3-(3-aminopropylamino)-3,4-dihydro-2H-pyran-2-yl]oxy]-2-[(2R,3R,4R,5R)-3,5-dihydroxy-5-methyl-4-(methylamino)oxan-2-yl]oxy-3-hydroxycyclohexyl]-3-hydroxy-4-oxopentyl]guanidine;2-[2-[2-[(1S,2S,3R,5S)-5-amino-4-[[(2S,3R)-6-(aminomethyl)-3-(diaminomethylideneamino)-3,4-dihydro-2H-pyran-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-[(3S)-5-[(1S,2S,3R,5S)-5-amino-4-[[(2S,3R)-6-(aminomethyl)-3-(diaminomethylideneamino)-3,4-dihydro-2H-pyran-2-yl]oxy]-2-[(2R,3R,4R,5R)-3,5-dihydroxy-5-methyl-4-(methylamino)oxan-2-yl]oxy-3-hydroxycyclohexyl]-3-hydroxy-4-oxopentyl]guanidine has a molecular weight of 1908.23 g/mol, XLogP of -15.38, 40 rotatable bonds, 33 hydrogen bond donors, and 43 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S)-5-[(1S,2S,3R,5S)-5-amino-4-[[(2S,3R)-6-(aminomethyl)-3-(3-aminopropylamino)-3,4-dihydro-2H-pyran-2-yl]oxy]-2-[(2R,3R,4R,5R)-3,5-dihydroxy-5-methyl-4-(methylamino)oxan-2-yl]oxy-3-hydroxycyclohexyl]-3-hydroxy-4-oxopentyl]guanidine;2-[2-[2-[(1S,2S,3R,5S)-5-amino-4-[[(2S,3R)-6-(aminomethyl)-3-(diaminomethylideneamino)-3,4-dihydro-2H-pyran-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-[(3S)-5-[(1S,2S,3R,5S)-5-amino-4-[[(2S,3R)-6-(aminomethyl)-3-(diaminomethylideneamino)-3,4-dihydro-2H-pyran-2-yl]oxy]-2-[(2R,3R,4R,5R)-3,5-dihydroxy-5-methyl-4-(methylamino)oxan-2-yl]oxy-3-hydroxycyclohexyl]-3-hydroxy-4-oxopentyl]guanidine is sourced from PubChem (CID 158993102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).