8UZ

TC007

Created: 2017-03-09
Last modified:  2017-12-13

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Chemical Details

Formal Charge0
Atom Count70
Chiral Atom Count15
Bond Count72
Aromatic Bond Count0
2D diagram of 8UZ
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Chemical Component Summary

NameTC007
Systematic Name (OpenEye OEToolkits)(2~{R},3~{S},4~{R},5~{R},6~{R})-2-(aminomethyl)-5-azanyl-6-[(1~{R},2~{R},3~{S},4~{R},6~{S})-4,6-bis(azanyl)-2-[(2~{S},3~{R},4~{S},5~{S},6~{R})-4-azanyl-6-(hydroxymethyl)-3,5-bis(oxidanyl)oxan-2-yl]oxy-3-oxidanyl-cyclohexyl]oxy-oxane-3,4-diol
FormulaC18 H37 N5 O10
Molecular Weight483.514
TypeNON-POLYMER

Chemical Descriptors

TypeProgram Version Descriptor
SMILESCACTVS3.385NC[CH]1O[CH](O[CH]2[CH](N)C[CH](N)[CH](O)[CH]2O[CH]3O[CH](CO)[CH](O)[CH](N)[CH]3O)[CH](N)[CH](O)[CH]1O
SMILESOpenEye OEToolkits2.0.6C1C(C(C(C(C1N)OC2C(C(C(C(O2)CN)O)O)N)OC3C(C(C(C(O3)CO)O)N)O)O)N
Canonical SMILESCACTVS3.385 NC[C@H]1O[C@H](O[C@@H]2[C@@H](N)C[C@@H](N)[C@H](O)[C@H]2O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](N)[C@H]3O)[C@H](N)[C@@H](O)[C@@H]1O
Canonical SMILESOpenEye OEToolkits2.0.6 C1[C@H]([C@@H]([C@H]([C@@H]([C@H]1N)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CN)O)O)N)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)N)O)O)N
InChIInChI1.03 InChI=1S/C18H37N5O10/c19-2-6-12(27)13(28)9(23)17(30-6)32-15-5(21)1-4(20)10(25)16(15)33-18-14(29)8(22)11(26)7(3-24)31-18/h4-18,24-29H,1-3,19-23H2/t4-,5+,6-,7-,8+,9-,10+,11-,12-,13-,14-,15-,16-,17-,18+/m1/s1
InChIKeyInChI1.03 NFBWMUNZOXWDAP-BXZIPUBNSA-N

Related Resource References

Resource NameReference
PubChem 11735014
ChEMBL CHEMBL2333426