N0N

5-(dimethylamino)-~{N}-[6-[[(1~{R},2~{R},3~{S},4~{S},5~{S})-2-(hydroxymethyl)-3,4,5-tris(oxidanyl)cyclopentyl]amino]hexyl]naphthalene-1-sulfonamide

Created:2019-11-04
Last modified:  2020-08-19

Help

Find related ligands:

Chemical Details

Formal Charge0
Atom Count71
Chiral Atom Count5
Bond Count73
Aromatic Bond Count11
2D diagram of N0N

WebGL does not seem to be available.

This can be caused by an outdated browser, graphics card driver issue, or bad weather. Sometimes, just restarting the browser helps. Also, make sure hardware acceleration is enabled in your browser.

For a list of supported browsers, refer to http://caniuse.com/#feat=webgl.

Toggle HydrogenToggle Labels

Chemical Component Summary

Name5-(dimethylamino)-~{N}-[6-[[(1~{R},2~{R},3~{S},4~{S},5~{S})-2-(hydroxymethyl)-3,4,5-tris(oxidanyl)cyclopentyl]amino]hexyl]naphthalene-1-sulfonamide
Systematic Name (OpenEye OEToolkits)5-(dimethylamino)-~{N}-[6-[[(1~{R},2~{R},3~{S},4~{S},5~{S})-2-(hydroxymethyl)-3,4,5-tris(oxidanyl)cyclopentyl]amino]hexyl]naphthalene-1-sulfonamide
FormulaC24 H37 N3 O6 S
Molecular Weight495.632
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESCACTVS3.385CN(C)c1cccc2c1cccc2[S](=O)(=O)NCCCCCCN[CH]3[CH](O)[CH](O)[CH](O)[CH]3CO
SMILESOpenEye OEToolkits2.0.7CN(C)c1cccc2c1cccc2S(=O)(=O)NCCCCCCNC3C(C(C(C3O)O)O)CO
Canonical SMILESCACTVS3.385 CN(C)c1cccc2c1cccc2[S](=O)(=O)NCCCCCCN[C@H]3[C@H](O)[C@@H](O)[C@@H](O)[C@H]3CO
Canonical SMILESOpenEye OEToolkits2.0.7 CN(C)c1cccc2c1cccc2S(=O)(=O)NCCCCCCN[C@@H]3[C@@H]([C@@H]([C@@H]([C@H]3O)O)O)CO
InChIInChI1.03 InChI=1S/C24H37N3O6S/c1-27(2)19-11-7-10-17-16(19)9-8-12-20(17)34(32,33)26-14-6-4-3-5-13-25-21-18(15-28)22(29)24(31)23(21)30/h7-12,18,21-26,28-31H,3-6,13-15H2,1-2H3/t18-,21+,22-,23-,24-/m0/s1
InChIKeyInChI1.03 UQDXIILZCYJPNV-GXWFBMCDSA-N

Related Resource References

Resource NameReference
Pharos CHEMBL4069909
PubChem 137640259
ChEMBL CHEMBL4069909