N-[[1-[(1R,3R,4R)-2,3-dihydroxy-5-(hydroxymethyl)-4-[(1R,3S,4S)-2,3,4-trihydroxy-5-(hydroxymethyl)cyclohexyl]oxycyclohexyl]triazol-4-yl]methyl]acetamide;N-[[1-[(1R,3R,4R)-2,3-dihydroxy-5-(hydroxymethyl)-4-[(1R,3S,4R)-2,3,4-trihydroxy-5-(hydroxymethyl)cyclohexyl]oxycyclohexyl]triazol-4-yl]methyl]acetamide;N-[[1-[(1R,3R,4R)-2,3-dihydroxy-5-(hydroxymethyl)-4-[(1S,3S,4R)-2,3,4-trihydroxy-5-(hydroxymethyl)cyclohexyl]oxycyclohexyl]triazol-4-yl]methyl]acetamide;N-[4-[(1R,3S)-2,3-dihydroxy-5-methylcyclohexyl]oxyphenyl]-N'-[4-[(1R,3S,4S)-2,3,4-trihydroxy-5-(hydroxymethyl)cyclohexyl]oxyphenyl]pentadecanediamide;(2S,3S,6R)-4-(hydroxymethyl)-6-[4-(tridec-1-en-2-ylamino)phenoxy]cyclohexane-1,2,3-triol;(2S,3R,6R)-4-(hydroxymethyl)-6-[4-(tridec-1-en-2-ylamino)phenoxy]cyclohexane-1,2,3-triol;N'-[4-[(1R,3S,4R)-2,3,4-trihydroxy-5-(hydroxymethyl)cyclohexyl]oxyphenyl]-N-[4-[(1R,3S,4R)-2,3,4-trihydroxy-5-methylcyclohexyl]oxyphenyl]pentadecanediamide

C191H306N18O58 — CID 163608473

IUPACN-[[1-[(1R,3R,4R)-2,3-dihydroxy-5-(hydroxymethyl)-4-[(1R,3S,4S)-2,3,4-trihydroxy-5-(hydroxymethyl)cyclohexyl]oxycyclohexyl]triazol-4-yl]methyl]acetamide;N-[[1-[(1R,3R,4R)-2,3-dihydroxy-5-(hydroxymethyl)-4-[(1R,3S,4R)-2,3,4-trihydroxy-5-(hydroxymethyl)cyclohexyl]oxycyclohexyl]triazol-4-yl]methyl]acetamide;N-[[1-[(1R,3R,4R)-2,3-dihydroxy-5-(hydroxymethyl)-4-[(1S,3S,4R)-2,3,4-trihydroxy-5-(hydroxymethyl)cyclohexyl]oxycyclohexyl]triazol-4-yl]methyl]acetamide;N-[4-[(1R,3S)-2,3-dihydroxy-5-methylcyclohexyl]oxyphenyl]-N'-[4-[(1R,3S,4S)-2,3,4-trihydroxy-5-(hydroxymethyl)cyclohexyl]oxyphenyl]pentadecanediamide;(2S,3S,6R)-4-(hydroxymethyl)-6-[4-(tridec-1-en-2-ylamino)phenoxy]cyclohexane-1,2,3-triol;(2S,3R,6R)-4-(hydroxymethyl)-6-[4-(tridec-1-en-2-ylamino)phenoxy]cyclohexane-1,2,3-triol;N'-[4-[(1R,3S,4R)-2,3,4-trihydroxy-5-(hydroxymethyl)cyclohexyl]oxyphenyl]-N-[4-[(1R,3S,4R)-2,3,4-trihydroxy-5-methylcyclohexyl]oxyphenyl]pentadecanediamide
SMILESC=C(CCCCCCCCCCC)Nc1ccc(OC2CC(CO)[C@@H](O)[C@H](O)C2O)cc1.C=C(CCCCCCCCCCC)Nc1ccc(O[C@@H]2CC(CO)[C@H](O)[C@H](O)C2O)cc1.CC(=O)NCc1cn([C@@H]2CC(CO)[C@@H](OC3CC(CO)[C@H](O)[C@H](O)C3O)[C@H](O)C2O)nn1.CC(=O)NCc1cn([C@@H]2CC(CO)[C@@H](O[C@@H]3CC(CO)[C@@H](O)[C@H](O)C3O)[C@H](O)C2O)nn1.CC(=O)NCc1cn([C@@H]2CC(CO)[C@@H](O[C@H]3CC(CO)[C@@H](O)[C@H](O)C3O)[C@H](O)C2O)nn1.CC1C[C@@H](Oc2ccc(NC(=O)CCCCCCCCCCCCCC(=O)Nc3ccc(OC4CC(CO)[C@@H](O)[C@H](O)C4O)cc3)cc2)C(O)[C@@H](O)[C@@H]1O.CC1C[C@H](O)C(O)[C@H](Oc2ccc(NC(=O)CCCCCCCCCCCCCC(=O)Nc3ccc(O[C@@H]4CC(CO)[C@H](O)[C@H](O)C4O)cc3)cc2)C1
InChIInChI=1S/C41H62N2O11.C41H62N2O10.2C26H43NO5.3C19H32N4O9/c1-26-23-32(38(49)40(51)36(26)47)53-30-19-15-28(16-20-30)42-34(45)13-11-9-7-5-3-2-4-6-8-10-12-14-35(46)43-29-17-21-31(22-18-29)54-33-24-27(25-44)37(48)41(52)39(33)50;1-27-23-33(45)39(49)34(24-27)52-31-19-15-29(16-20-31)42-36(46)13-11-9-7-5-3-2-4-6-8-10-12-14-37(47)43-30-17-21-32(22-18-30)53-35-25-28(26-44)38(48)41(51)40(35)50;2*1-3-4-5-6-7-8-9-10-11-12-19(2)27-21-13-15-22(16-14-21)32-23-17-20(18-28)24(29)26(31)25(23)30;3*1-8(26)20-4-11-5-23(22-21-11)12-2-10(7-25)19(18(31)15(12)28)32-13-3-9(6-24)14(27)17(30)16(13)29/h15-22,26-27,32-33,36-41,44,47-52H,2-14,23-25H2,1H3,(H,42,45)(H,43,46);15-22,27-28,33-35,38-41,44-45,48-51H,2-14,23-26H2,1H3,(H,42,46)(H,43,47);2*13-16,20,23-31H,2-12,17-18H2,1H3;3*5,9-10,12-19,24-25,27-31H,2-4,6-7H2,1H3,(H,20,26)/t26?,27?,32-,33?,36-,37-,38?,39?,40+,41+;27?,28?,33-,34+,35+,38-,39?,40?,41-;20?,23?,24-,25?,26+;20?,23-,24+,25?,26+;9?,10?,12-,13?,14+,15?,16?,17+,18-,19-;9?,10?,12-,13+,14-,15?,16?,17+,18-,19-;9?,10?,12-,13-,14-,15?,16?,17+,18-,19-/m1011111/s1
InChIKeyHDWGMOWLDLRXDN-QSRUMTKFSA-N
MW3782.62 g/mol
LogP5.99
Rot. Bonds93

About N-[[1-[(1R,3R,4R)-2,3-dihydroxy-5-(hydroxymethyl)-4-[(1R,3S,4S)-2,3,4-trihydroxy-5-(hydroxymethyl)cyclohexyl]oxycyclohexyl]triazol-4-yl]methyl]acetamide;N-[[1-[(1R,3R,4R)-2,3-dihydroxy-5-(hydroxymethyl)-4-[(1R,3S,4R)-2,3,4-trihydroxy-5-(hydroxymethyl)cyclohexyl]oxycyclohexyl]triazol-4-yl]methyl]acetamide;N-[[1-[(1R,3R,4R)-2,3-dihydroxy-5-(hydroxymethyl)-4-[(1S,3S,4R)-2,3,4-trihydroxy-5-(hydroxymethyl)cyclohexyl]oxycyclohexyl]triazol-4-yl]methyl]acetamide;N-[4-[(1R,3S)-2,3-dihydroxy-5-methylcyclohexyl]oxyphenyl]-N'-[4-[(1R,3S,4S)-2,3,4-trihydroxy-5-(hydroxymethyl)cyclohexyl]oxyphenyl]pentadecanediamide;(2S,3S,6R)-4-(hydroxymethyl)-6-[4-(tridec-1-en-2-ylamino)phenoxy]cyclohexane-1,2,3-triol;(2S,3R,6R)-4-(hydroxymethyl)-6-[4-(tridec-1-en-2-ylamino)phenoxy]cyclohexane-1,2,3-triol;N'-[4-[(1R,3S,4R)-2,3,4-trihydroxy-5-(hydroxymethyl)cyclohexyl]oxyphenyl]-N-[4-[(1R,3S,4R)-2,3,4-trihydroxy-5-methylcyclohexyl]oxyphenyl]pentadecanediamide

N-[[1-[(1R,3R,4R)-2,3-dihydroxy-5-(hydroxymethyl)-4-[(1R,3S,4S)-2,3,4-trihydroxy-5-(hydroxymethyl)cyclohexyl]oxycyclohexyl]triazol-4-yl]methyl]acetamide;N-[[1-[(1R,3R,4R)-2,3-dihydroxy-5-(hydroxymethyl)-4-[(1R,3S,4R)-2,3,4-trihydroxy-5-(hydroxymethyl)cyclohexyl]oxycyclohexyl]triazol-4-yl]methyl]acetamide;N-[[1-[(1R,3R,4R)-2,3-dihydroxy-5-(hydroxymethyl)-4-[(1S,3S,4R)-2,3,4-trihydroxy-5-(hydroxymethyl)cyclohexyl]oxycyclohexyl]triazol-4-yl]methyl]acetamide;N-[4-[(1R,3S)-2,3-dihydroxy-5-methylcyclohexyl]oxyphenyl]-N'-[4-[(1R,3S,4S)-2,3,4-trihydroxy-5-(hydroxymethyl)cyclohexyl]oxyphenyl]pentadecanediamide;(2S,3S,6R)-4-(hydroxymethyl)-6-[4-(tridec-1-en-2-ylamino)phenoxy]cyclohexane-1,2,3-triol;(2S,3R,6R)-4-(hydroxymethyl)-6-[4-(tridec-1-en-2-ylamino)phenoxy]cyclohexane-1,2,3-triol;N'-[4-[(1R,3S,4R)-2,3,4-trihydroxy-5-(hydroxymethyl)cyclohexyl]oxyphenyl]-N-[4-[(1R,3S,4R)-2,3,4-trihydroxy-5-methylcyclohexyl]oxyphenyl]pentadecanediamide (PubChem CID 163608473) has the molecular formula C191H306N18O58 and a molecular weight of 3782.62 g/mol. Its IUPAC name is N-[[1-[(1R,3R,4R)-2,3-dihydroxy-5-(hydroxymethyl)-4-[(1R,3S,4S)-2,3,4-trihydroxy-5-(hydroxymethyl)cyclohexyl]oxycyclohexyl]triazol-4-yl]methyl]acetamide;N-[[1-[(1R,3R,4R)-2,3-dihydroxy-5-(hydroxymethyl)-4-[(1R,3S,4R)-2,3,4-trihydroxy-5-(hydroxymethyl)cyclohexyl]oxycyclohexyl]triazol-4-yl]methyl]acetamide;N-[[1-[(1R,3R,4R)-2,3-dihydroxy-5-(hydroxymethyl)-4-[(1S,3S,4R)-2,3,4-trihydroxy-5-(hydroxymethyl)cyclohexyl]oxycyclohexyl]triazol-4-yl]methyl]acetamide;N-[4-[(1R,3S)-2,3-dihydroxy-5-methylcyclohexyl]oxyphenyl]-N'-[4-[(1R,3S,4S)-2,3,4-trihydroxy-5-(hydroxymethyl)cyclohexyl]oxyphenyl]pentadecanediamide;(2S,3S,6R)-4-(hydroxymethyl)-6-[4-(tridec-1-en-2-ylamino)phenoxy]cyclohexane-1,2,3-triol;(2S,3R,6R)-4-(hydroxymethyl)-6-[4-(tridec-1-en-2-ylamino)phenoxy]cyclohexane-1,2,3-triol;N'-[4-[(1R,3S,4R)-2,3,4-trihydroxy-5-(hydroxymethyl)cyclohexyl]oxyphenyl]-N-[4-[(1R,3S,4R)-2,3,4-trihydroxy-5-methylcyclohexyl]oxyphenyl]pentadecanediamide.

Molecular Properties

Compound NameN-[[1-[(1R,3R,4R)-2,3-dihydroxy-5-(hydroxymethyl)-4-[(1R,3S,4S)-2,3,4-trihydroxy-5-(hydroxymethyl)cyclohexyl]oxycyclohexyl]triazol-4-yl]methyl]acetamide;N-[[1-[(1R,3R,4R)-2,3-dihydroxy-5-(hydroxymethyl)-4-[(1R,3S,4R)-2,3,4-trihydroxy-5-(hydroxymethyl)cyclohexyl]oxycyclohexyl]triazol-4-yl]methyl]acetamide;N-[[1-[(1R,3R,4R)-2,3-dihydroxy-5-(hydroxymethyl)-4-[(1S,3S,4R)-2,3,4-trihydroxy-5-(hydroxymethyl)cyclohexyl]oxycyclohexyl]triazol-4-yl]methyl]acetamide;N-[4-[(1R,3S)-2,3-dihydroxy-5-methylcyclohexyl]oxyphenyl]-N'-[4-[(1R,3S,4S)-2,3,4-trihydroxy-5-(hydroxymethyl)cyclohexyl]oxyphenyl]pentadecanediamide;(2S,3S,6R)-4-(hydroxymethyl)-6-[4-(tridec-1-en-2-ylamino)phenoxy]cyclohexane-1,2,3-triol;(2S,3R,6R)-4-(hydroxymethyl)-6-[4-(tridec-1-en-2-ylamino)phenoxy]cyclohexane-1,2,3-triol;N'-[4-[(1R,3S,4R)-2,3,4-trihydroxy-5-(hydroxymethyl)cyclohexyl]oxyphenyl]-N-[4-[(1R,3S,4R)-2,3,4-trihydroxy-5-methylcyclohexyl]oxyphenyl]pentadecanediamide
PubChem CID163608473
Molecular FormulaC191H306N18O58
Molecular Weight3782.62 g/mol
Exact Mass3780.15
IUPAC NameN-[[1-[(1R,3R,4R)-2,3-dihydroxy-5-(hydroxymethyl)-4-[(1R,3S,4S)-2,3,4-trihydroxy-5-(hydroxymethyl)cyclohexyl]oxycyclohexyl]triazol-4-yl]methyl]acetamide;N-[[1-[(1R,3R,4R)-2,3-dihydroxy-5-(hydroxymethyl)-4-[(1R,3S,4R)-2,3,4-trihydroxy-5-(hydroxymethyl)cyclohexyl]oxycyclohexyl]triazol-4-yl]methyl]acetamide;N-[[1-[(1R,3R,4R)-2,3-dihydroxy-5-(hydroxymethyl)-4-[(1S,3S,4R)-2,3,4-trihydroxy-5-(hydroxymethyl)cyclohexyl]oxycyclohexyl]triazol-4-yl]methyl]acetamide;N-[4-[(1R,3S)-2,3-dihydroxy-5-methylcyclohexyl]oxyphenyl]-N'-[4-[(1R,3S,4S)-2,3,4-trihydroxy-5-(hydroxymethyl)cyclohexyl]oxyphenyl]pentadecanediamide;(2S,3S,6R)-4-(hydroxymethyl)-6-[4-(tridec-1-en-2-ylamino)phenoxy]cyclohexane-1,2,3-triol;(2S,3R,6R)-4-(hydroxymethyl)-6-[4-(tridec-1-en-2-ylamino)phenoxy]cyclohexane-1,2,3-triol;N'-[4-[(1R,3S,4R)-2,3,4-trihydroxy-5-(hydroxymethyl)cyclohexyl]oxyphenyl]-N-[4-[(1R,3S,4R)-2,3,4-trihydroxy-5-methylcyclohexyl]oxyphenyl]pentadecanediamide
SMILESC=C(CCCCCCCCCCC)Nc1ccc(OC2CC(CO)[C@@H](O)[C@H](O)C2O)cc1.C=C(CCCCCCCCCCC)Nc1ccc(O[C@@H]2CC(CO)[C@H](O)[C@H](O)C2O)cc1.CC(=O)NCc1cn([C@@H]2CC(CO)[C@@H](OC3CC(CO)[C@H](O)[C@H](O)C3O)[C@H](O)C2O)nn1.CC(=O)NCc1cn([C@@H]2CC(CO)[C@@H](O[C@@H]3CC(CO)[C@@H](O)[C@H](O)C3O)[C@H](O)C2O)nn1.CC(=O)NCc1cn([C@@H]2CC(CO)[C@@H](O[C@H]3CC(CO)[C@@H](O)[C@H](O)C3O)[C@H](O)C2O)nn1.CC1C[C@@H](Oc2ccc(NC(=O)CCCCCCCCCCCCCC(=O)Nc3ccc(OC4CC(CO)[C@@H](O)[C@H](O)C4O)cc3)cc2)C(O)[C@@H](O)[C@@H]1O.CC1C[C@H](O)C(O)[C@H](Oc2ccc(NC(=O)CCCCCCCCCCCCCC(=O)Nc3ccc(O[C@@H]4CC(CO)[C@H](O)[C@H](O)C4O)cc3)cc2)C1
InChIInChI=1S/C41H62N2O11.C41H62N2O10.2C26H43NO5.3C19H32N4O9/c1-26-23-32(38(49)40(51)36(26)47)53-30-19-15-28(16-20-30)42-34(45)13-11-9-7-5-3-2-4-6-8-10-12-14-35(46)43-29-17-21-31(22-18-29)54-33-24-27(25-44)37(48)41(52)39(33)50;1-27-23-33(45)39(49)34(24-27)52-31-19-15-29(16-20-31)42-36(46)13-11-9-7-5-3-2-4-6-8-10-12-14-37(47)43-30-17-21-32(22-18-30)53-35-25-28(26-44)38(48)41(51)40(35)50;2*1-3-4-5-6-7-8-9-10-11-12-19(2)27-21-13-15-22(16-14-21)32-23-17-20(18-28)24(29)26(31)25(23)30;3*1-8(26)20-4-11-5-23(22-21-11)12-2-10(7-25)19(18(31)15(12)28)32-13-3-9(6-24)14(27)17(30)16(13)29/h15-22,26-27,32-33,36-41,44,47-52H,2-14,23-25H2,1H3,(H,42,45)(H,43,46);15-22,27-28,33-35,38-41,44-45,48-51H,2-14,23-26H2,1H3,(H,42,46)(H,43,47);2*13-16,20,23-31H,2-12,17-18H2,1H3;3*5,9-10,12-19,24-25,27-31H,2-4,6-7H2,1H3,(H,20,26)/t26?,27?,32-,33?,36-,37-,38?,39?,40+,41+;27?,28?,33-,34+,35+,38-,39?,40?,41-;20?,23?,24-,25?,26+;20?,23-,24+,25?,26+;9?,10?,12-,13?,14+,15?,16?,17+,18-,19-;9?,10?,12-,13+,14-,15?,16?,17+,18-,19-;9?,10?,12-,13-,14-,15?,16?,17+,18-,19-/m1011111/s1
InChIKeyHDWGMOWLDLRXDN-QSRUMTKFSA-N
XLogP5.99
TPSA1252.62 Ų
H-Bond Donors51
H-Bond Acceptors69
Rotatable Bonds93
Heavy Atoms267
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003782.62
LogP ≤ 55.99
H-Bond Donors ≤ 551
H-Bond Acceptors ≤ 1069

Analyze N-[[1-[(1R,3R,4R)-2,3-dihydroxy-5-(hydroxymethyl)-4-[(1R,3S,4S)-2,3,4-trihydroxy-5-(hydroxymethyl)cyclohexyl]oxycyclohexyl]triazol-4-yl]methyl]acetamide;N-[[1-[(1R,3R,4R)-2,3-dihydroxy-5-(hydroxymethyl)-4-[(1R,3S,4R)-2,3,4-trihydroxy-5-(hydroxymethyl)cyclohexyl]oxycyclohexyl]triazol-4-yl]methyl]acetamide;N-[[1-[(1R,3R,4R)-2,3-dihydroxy-5-(hydroxymethyl)-4-[(1S,3S,4R)-2,3,4-trihydroxy-5-(hydroxymethyl)cyclohexyl]oxycyclohexyl]triazol-4-yl]methyl]acetamide;N-[4-[(1R,3S)-2,3-dihydroxy-5-methylcyclohexyl]oxyphenyl]-N'-[4-[(1R,3S,4S)-2,3,4-trihydroxy-5-(hydroxymethyl)cyclohexyl]oxyphenyl]pentadecanediamide;(2S,3S,6R)-4-(hydroxymethyl)-6-[4-(tridec-1-en-2-ylamino)phenoxy]cyclohexane-1,2,3-triol;(2S,3R,6R)-4-(hydroxymethyl)-6-[4-(tridec-1-en-2-ylamino)phenoxy]cyclohexane-1,2,3-triol;N'-[4-[(1R,3S,4R)-2,3,4-trihydroxy-5-(hydroxymethyl)cyclohexyl]oxyphenyl]-N-[4-[(1R,3S,4R)-2,3,4-trihydroxy-5-methylcyclohexyl]oxyphenyl]pentadecanediamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[[1-[(1R,3R,4R)-2,3-dihydroxy-5-(hydroxymethyl)-4-[(1R,3S,4S)-2,3,4-trihydroxy-5-(hydroxymethyl)cyclohexyl]oxycyclohexyl]triazol-4-yl]methyl]acetamide;N-[[1-[(1R,3R,4R)-2,3-dihydroxy-5-(hydroxymethyl)-4-[(1R,3S,4R)-2,3,4-trihydroxy-5-(hydroxymethyl)cyclohexyl]oxycyclohexyl]triazol-4-yl]methyl]acetamide;N-[[1-[(1R,3R,4R)-2,3-dihydroxy-5-(hydroxymethyl)-4-[(1S,3S,4R)-2,3,4-trihydroxy-5-(hydroxymethyl)cyclohexyl]oxycyclohexyl]triazol-4-yl]methyl]acetamide;N-[4-[(1R,3S)-2,3-dihydroxy-5-methylcyclohexyl]oxyphenyl]-N'-[4-[(1R,3S,4S)-2,3,4-trihydroxy-5-(hydroxymethyl)cyclohexyl]oxyphenyl]pentadecanediamide;(2S,3S,6R)-4-(hydroxymethyl)-6-[4-(tridec-1-en-2-ylamino)phenoxy]cyclohexane-1,2,3-triol;(2S,3R,6R)-4-(hydroxymethyl)-6-[4-(tridec-1-en-2-ylamino)phenoxy]cyclohexane-1,2,3-triol;N'-[4-[(1R,3S,4R)-2,3,4-trihydroxy-5-(hydroxymethyl)cyclohexyl]oxyphenyl]-N-[4-[(1R,3S,4R)-2,3,4-trihydroxy-5-methylcyclohexyl]oxyphenyl]pentadecanediamide?
The IUPAC name of N-[[1-[(1R,3R,4R)-2,3-dihydroxy-5-(hydroxymethyl)-4-[(1R,3S,4S)-2,3,4-trihydroxy-5-(hydroxymethyl)cyclohexyl]oxycyclohexyl]triazol-4-yl]methyl]acetamide;N-[[1-[(1R,3R,4R)-2,3-dihydroxy-5-(hydroxymethyl)-4-[(1R,3S,4R)-2,3,4-trihydroxy-5-(hydroxymethyl)cyclohexyl]oxycyclohexyl]triazol-4-yl]methyl]acetamide;N-[[1-[(1R,3R,4R)-2,3-dihydroxy-5-(hydroxymethyl)-4-[(1S,3S,4R)-2,3,4-trihydroxy-5-(hydroxymethyl)cyclohexyl]oxycyclohexyl]triazol-4-yl]methyl]acetamide;N-[4-[(1R,3S)-2,3-dihydroxy-5-methylcyclohexyl]oxyphenyl]-N'-[4-[(1R,3S,4S)-2,3,4-trihydroxy-5-(hydroxymethyl)cyclohexyl]oxyphenyl]pentadecanediamide;(2S,3S,6R)-4-(hydroxymethyl)-6-[4-(tridec-1-en-2-ylamino)phenoxy]cyclohexane-1,2,3-triol;(2S,3R,6R)-4-(hydroxymethyl)-6-[4-(tridec-1-en-2-ylamino)phenoxy]cyclohexane-1,2,3-triol;N'-[4-[(1R,3S,4R)-2,3,4-trihydroxy-5-(hydroxymethyl)cyclohexyl]oxyphenyl]-N-[4-[(1R,3S,4R)-2,3,4-trihydroxy-5-methylcyclohexyl]oxyphenyl]pentadecanediamide (CID 163608473) is N-[[1-[(1R,3R,4R)-2,3-dihydroxy-5-(hydroxymethyl)-4-[(1R,3S,4S)-2,3,4-trihydroxy-5-(hydroxymethyl)cyclohexyl]oxycyclohexyl]triazol-4-yl]methyl]acetamide;N-[[1-[(1R,3R,4R)-2,3-dihydroxy-5-(hydroxymethyl)-4-[(1R,3S,4R)-2,3,4-trihydroxy-5-(hydroxymethyl)cyclohexyl]oxycyclohexyl]triazol-4-yl]methyl]acetamide;N-[[1-[(1R,3R,4R)-2,3-dihydroxy-5-(hydroxymethyl)-4-[(1S,3S,4R)-2,3,4-trihydroxy-5-(hydroxymethyl)cyclohexyl]oxycyclohexyl]triazol-4-yl]methyl]acetamide;N-[4-[(1R,3S)-2,3-dihydroxy-5-methylcyclohexyl]oxyphenyl]-N'-[4-[(1R,3S,4S)-2,3,4-trihydroxy-5-(hydroxymethyl)cyclohexyl]oxyphenyl]pentadecanediamide;(2S,3S,6R)-4-(hydroxymethyl)-6-[4-(tridec-1-en-2-ylamino)phenoxy]cyclohexane-1,2,3-triol;(2S,3R,6R)-4-(hydroxymethyl)-6-[4-(tridec-1-en-2-ylamino)phenoxy]cyclohexane-1,2,3-triol;N'-[4-[(1R,3S,4R)-2,3,4-trihydroxy-5-(hydroxymethyl)cyclohexyl]oxyphenyl]-N-[4-[(1R,3S,4R)-2,3,4-trihydroxy-5-methylcyclohexyl]oxyphenyl]pentadecanediamide.
What is the SMILES notation for N-[[1-[(1R,3R,4R)-2,3-dihydroxy-5-(hydroxymethyl)-4-[(1R,3S,4S)-2,3,4-trihydroxy-5-(hydroxymethyl)cyclohexyl]oxycyclohexyl]triazol-4-yl]methyl]acetamide;N-[[1-[(1R,3R,4R)-2,3-dihydroxy-5-(hydroxymethyl)-4-[(1R,3S,4R)-2,3,4-trihydroxy-5-(hydroxymethyl)cyclohexyl]oxycyclohexyl]triazol-4-yl]methyl]acetamide;N-[[1-[(1R,3R,4R)-2,3-dihydroxy-5-(hydroxymethyl)-4-[(1S,3S,4R)-2,3,4-trihydroxy-5-(hydroxymethyl)cyclohexyl]oxycyclohexyl]triazol-4-yl]methyl]acetamide;N-[4-[(1R,3S)-2,3-dihydroxy-5-methylcyclohexyl]oxyphenyl]-N'-[4-[(1R,3S,4S)-2,3,4-trihydroxy-5-(hydroxymethyl)cyclohexyl]oxyphenyl]pentadecanediamide;(2S,3S,6R)-4-(hydroxymethyl)-6-[4-(tridec-1-en-2-ylamino)phenoxy]cyclohexane-1,2,3-triol;(2S,3R,6R)-4-(hydroxymethyl)-6-[4-(tridec-1-en-2-ylamino)phenoxy]cyclohexane-1,2,3-triol;N'-[4-[(1R,3S,4R)-2,3,4-trihydroxy-5-(hydroxymethyl)cyclohexyl]oxyphenyl]-N-[4-[(1R,3S,4R)-2,3,4-trihydroxy-5-methylcyclohexyl]oxyphenyl]pentadecanediamide?
The canonical SMILES for N-[[1-[(1R,3R,4R)-2,3-dihydroxy-5-(hydroxymethyl)-4-[(1R,3S,4S)-2,3,4-trihydroxy-5-(hydroxymethyl)cyclohexyl]oxycyclohexyl]triazol-4-yl]methyl]acetamide;N-[[1-[(1R,3R,4R)-2,3-dihydroxy-5-(hydroxymethyl)-4-[(1R,3S,4R)-2,3,4-trihydroxy-5-(hydroxymethyl)cyclohexyl]oxycyclohexyl]triazol-4-yl]methyl]acetamide;N-[[1-[(1R,3R,4R)-2,3-dihydroxy-5-(hydroxymethyl)-4-[(1S,3S,4R)-2,3,4-trihydroxy-5-(hydroxymethyl)cyclohexyl]oxycyclohexyl]triazol-4-yl]methyl]acetamide;N-[4-[(1R,3S)-2,3-dihydroxy-5-methylcyclohexyl]oxyphenyl]-N'-[4-[(1R,3S,4S)-2,3,4-trihydroxy-5-(hydroxymethyl)cyclohexyl]oxyphenyl]pentadecanediamide;(2S,3S,6R)-4-(hydroxymethyl)-6-[4-(tridec-1-en-2-ylamino)phenoxy]cyclohexane-1,2,3-triol;(2S,3R,6R)-4-(hydroxymethyl)-6-[4-(tridec-1-en-2-ylamino)phenoxy]cyclohexane-1,2,3-triol;N'-[4-[(1R,3S,4R)-2,3,4-trihydroxy-5-(hydroxymethyl)cyclohexyl]oxyphenyl]-N-[4-[(1R,3S,4R)-2,3,4-trihydroxy-5-methylcyclohexyl]oxyphenyl]pentadecanediamide is C=C(CCCCCCCCCCC)Nc1ccc(OC2CC(CO)[C@@H](O)[C@H](O)C2O)cc1.C=C(CCCCCCCCCCC)Nc1ccc(O[C@@H]2CC(CO)[C@H](O)[C@H](O)C2O)cc1.CC(=O)NCc1cn([C@@H]2CC(CO)[C@@H](OC3CC(CO)[C@H](O)[C@H](O)C3O)[C@H](O)C2O)nn1.CC(=O)NCc1cn([C@@H]2CC(CO)[C@@H](O[C@@H]3CC(CO)[C@@H](O)[C@H](O)C3O)[C@H](O)C2O)nn1.CC(=O)NCc1cn([C@@H]2CC(CO)[C@@H](O[C@H]3CC(CO)[C@@H](O)[C@H](O)C3O)[C@H](O)C2O)nn1.CC1C[C@@H](Oc2ccc(NC(=O)CCCCCCCCCCCCCC(=O)Nc3ccc(OC4CC(CO)[C@@H](O)[C@H](O)C4O)cc3)cc2)C(O)[C@@H](O)[C@@H]1O.CC1C[C@H](O)C(O)[C@H](Oc2ccc(NC(=O)CCCCCCCCCCCCCC(=O)Nc3ccc(O[C@@H]4CC(CO)[C@H](O)[C@H](O)C4O)cc3)cc2)C1.
What is the InChIKey of N-[[1-[(1R,3R,4R)-2,3-dihydroxy-5-(hydroxymethyl)-4-[(1R,3S,4S)-2,3,4-trihydroxy-5-(hydroxymethyl)cyclohexyl]oxycyclohexyl]triazol-4-yl]methyl]acetamide;N-[[1-[(1R,3R,4R)-2,3-dihydroxy-5-(hydroxymethyl)-4-[(1R,3S,4R)-2,3,4-trihydroxy-5-(hydroxymethyl)cyclohexyl]oxycyclohexyl]triazol-4-yl]methyl]acetamide;N-[[1-[(1R,3R,4R)-2,3-dihydroxy-5-(hydroxymethyl)-4-[(1S,3S,4R)-2,3,4-trihydroxy-5-(hydroxymethyl)cyclohexyl]oxycyclohexyl]triazol-4-yl]methyl]acetamide;N-[4-[(1R,3S)-2,3-dihydroxy-5-methylcyclohexyl]oxyphenyl]-N'-[4-[(1R,3S,4S)-2,3,4-trihydroxy-5-(hydroxymethyl)cyclohexyl]oxyphenyl]pentadecanediamide;(2S,3S,6R)-4-(hydroxymethyl)-6-[4-(tridec-1-en-2-ylamino)phenoxy]cyclohexane-1,2,3-triol;(2S,3R,6R)-4-(hydroxymethyl)-6-[4-(tridec-1-en-2-ylamino)phenoxy]cyclohexane-1,2,3-triol;N'-[4-[(1R,3S,4R)-2,3,4-trihydroxy-5-(hydroxymethyl)cyclohexyl]oxyphenyl]-N-[4-[(1R,3S,4R)-2,3,4-trihydroxy-5-methylcyclohexyl]oxyphenyl]pentadecanediamide?
The InChIKey is HDWGMOWLDLRXDN-QSRUMTKFSA-N. The full InChI is InChI=1S/C41H62N2O11.C41H62N2O10.2C26H43NO5.3C19H32N4O9/c1-26-23-32(38(49)40(51)36(26)47)53-30-19-15-28(16-20-30)42-34(45)13-11-9-7-5-3-2-4-6-8-10-12-14-35(46)43-29-17-21-31(22-18-29)54-33-24-27(25-44)37(48)41(52)39(33)50;1-27-23-33(45)39(49)34(24-27)52-31-19-15-29(16-20-31)42-36(46)13-11-9-7-5-3-2-4-6-8-10-12-14-37(47)43-30-17-21-32(22-18-30)53-35-25-28(26-44)38(48)41(51)40(35)50;2*1-3-4-5-6-7-8-9-10-11-12-19(2)27-21-13-15-22(16-14-21)32-23-17-20(18-28)24(29)26(31)25(23)30;3*1-8(26)20-4-11-5-23(22-21-11)12-2-10(7-25)19(18(31)15(12)28)32-13-3-9(6-24)14(27)17(30)16(13)29/h15-22,26-27,32-33,36-41,44,47-52H,2-14,23-25H2,1H3,(H,42,45)(H,43,46);15-22,27-28,33-35,38-41,44-45,48-51H,2-14,23-26H2,1H3,(H,42,46)(H,43,47);2*13-16,20,23-31H,2-12,17-18H2,1H3;3*5,9-10,12-19,24-25,27-31H,2-4,6-7H2,1H3,(H,20,26)/t26?,27?,32-,33?,36-,37-,38?,39?,40+,41+;27?,28?,33-,34+,35+,38-,39?,40?,41-;20?,23?,24-,25?,26+;20?,23-,24+,25?,26+;9?,10?,12-,13?,14+,15?,16?,17+,18-,19-;9?,10?,12-,13+,14-,15?,16?,17+,18-,19-;9?,10?,12-,13-,14-,15?,16?,17+,18-,19-/m1011111/s1.
What are the key properties of N-[[1-[(1R,3R,4R)-2,3-dihydroxy-5-(hydroxymethyl)-4-[(1R,3S,4S)-2,3,4-trihydroxy-5-(hydroxymethyl)cyclohexyl]oxycyclohexyl]triazol-4-yl]methyl]acetamide;N-[[1-[(1R,3R,4R)-2,3-dihydroxy-5-(hydroxymethyl)-4-[(1R,3S,4R)-2,3,4-trihydroxy-5-(hydroxymethyl)cyclohexyl]oxycyclohexyl]triazol-4-yl]methyl]acetamide;N-[[1-[(1R,3R,4R)-2,3-dihydroxy-5-(hydroxymethyl)-4-[(1S,3S,4R)-2,3,4-trihydroxy-5-(hydroxymethyl)cyclohexyl]oxycyclohexyl]triazol-4-yl]methyl]acetamide;N-[4-[(1R,3S)-2,3-dihydroxy-5-methylcyclohexyl]oxyphenyl]-N'-[4-[(1R,3S,4S)-2,3,4-trihydroxy-5-(hydroxymethyl)cyclohexyl]oxyphenyl]pentadecanediamide;(2S,3S,6R)-4-(hydroxymethyl)-6-[4-(tridec-1-en-2-ylamino)phenoxy]cyclohexane-1,2,3-triol;(2S,3R,6R)-4-(hydroxymethyl)-6-[4-(tridec-1-en-2-ylamino)phenoxy]cyclohexane-1,2,3-triol;N'-[4-[(1R,3S,4R)-2,3,4-trihydroxy-5-(hydroxymethyl)cyclohexyl]oxyphenyl]-N-[4-[(1R,3S,4R)-2,3,4-trihydroxy-5-methylcyclohexyl]oxyphenyl]pentadecanediamide?
N-[[1-[(1R,3R,4R)-2,3-dihydroxy-5-(hydroxymethyl)-4-[(1R,3S,4S)-2,3,4-trihydroxy-5-(hydroxymethyl)cyclohexyl]oxycyclohexyl]triazol-4-yl]methyl]acetamide;N-[[1-[(1R,3R,4R)-2,3-dihydroxy-5-(hydroxymethyl)-4-[(1R,3S,4R)-2,3,4-trihydroxy-5-(hydroxymethyl)cyclohexyl]oxycyclohexyl]triazol-4-yl]methyl]acetamide;N-[[1-[(1R,3R,4R)-2,3-dihydroxy-5-(hydroxymethyl)-4-[(1S,3S,4R)-2,3,4-trihydroxy-5-(hydroxymethyl)cyclohexyl]oxycyclohexyl]triazol-4-yl]methyl]acetamide;N-[4-[(1R,3S)-2,3-dihydroxy-5-methylcyclohexyl]oxyphenyl]-N'-[4-[(1R,3S,4S)-2,3,4-trihydroxy-5-(hydroxymethyl)cyclohexyl]oxyphenyl]pentadecanediamide;(2S,3S,6R)-4-(hydroxymethyl)-6-[4-(tridec-1-en-2-ylamino)phenoxy]cyclohexane-1,2,3-triol;(2S,3R,6R)-4-(hydroxymethyl)-6-[4-(tridec-1-en-2-ylamino)phenoxy]cyclohexane-1,2,3-triol;N'-[4-[(1R,3S,4R)-2,3,4-trihydroxy-5-(hydroxymethyl)cyclohexyl]oxyphenyl]-N-[4-[(1R,3S,4R)-2,3,4-trihydroxy-5-methylcyclohexyl]oxyphenyl]pentadecanediamide has a molecular weight of 3782.62 g/mol, XLogP of 5.99, 93 rotatable bonds, 51 hydrogen bond donors, and 69 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(1R,3R,4R)-2,3-dihydroxy-5-(hydroxymethyl)-4-[(1R,3S,4S)-2,3,4-trihydroxy-5-(hydroxymethyl)cyclohexyl]oxycyclohexyl]triazol-4-yl]methyl]acetamide;N-[[1-[(1R,3R,4R)-2,3-dihydroxy-5-(hydroxymethyl)-4-[(1R,3S,4R)-2,3,4-trihydroxy-5-(hydroxymethyl)cyclohexyl]oxycyclohexyl]triazol-4-yl]methyl]acetamide;N-[[1-[(1R,3R,4R)-2,3-dihydroxy-5-(hydroxymethyl)-4-[(1S,3S,4R)-2,3,4-trihydroxy-5-(hydroxymethyl)cyclohexyl]oxycyclohexyl]triazol-4-yl]methyl]acetamide;N-[4-[(1R,3S)-2,3-dihydroxy-5-methylcyclohexyl]oxyphenyl]-N'-[4-[(1R,3S,4S)-2,3,4-trihydroxy-5-(hydroxymethyl)cyclohexyl]oxyphenyl]pentadecanediamide;(2S,3S,6R)-4-(hydroxymethyl)-6-[4-(tridec-1-en-2-ylamino)phenoxy]cyclohexane-1,2,3-triol;(2S,3R,6R)-4-(hydroxymethyl)-6-[4-(tridec-1-en-2-ylamino)phenoxy]cyclohexane-1,2,3-triol;N'-[4-[(1R,3S,4R)-2,3,4-trihydroxy-5-(hydroxymethyl)cyclohexyl]oxyphenyl]-N-[4-[(1R,3S,4R)-2,3,4-trihydroxy-5-methylcyclohexyl]oxyphenyl]pentadecanediamide is sourced from PubChem (CID 163608473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).