G5Q

5'-O-(N-(L-aspartyl)-sulfamoyl)N3-methyluridine

Created:2018-08-29
Last modified:  2019-12-18

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Chemical Details

Formal Charge0
Atom Count50
Chiral Atom Count5
Bond Count51
Aromatic Bond Count0
2D diagram of G5Q

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Chemical Component Summary

Name5'-O-(N-(L-aspartyl)-sulfamoyl)N3-methyluridine
Systematic Name (OpenEye OEToolkits)(3~{S})-3-azanyl-4-[[(2~{R},3~{S},4~{R},5~{R})-5-[3-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxysulfonylamino]-4-oxidanylidene-butanoic acid
FormulaC14 H20 N4 O11 S
Molecular Weight452.394
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESCACTVS3.385CN1C(=O)C=CN([CH]2O[CH](CO[S](=O)(=O)NC(=O)[CH](N)CC(O)=O)[CH](O)[CH]2O)C1=O
SMILESOpenEye OEToolkits2.0.6CN1C(=O)C=CN(C1=O)C2C(C(C(O2)COS(=O)(=O)NC(=O)C(CC(=O)O)N)O)O
Canonical SMILESCACTVS3.385 CN1C(=O)C=CN([C@@H]2O[C@H](CO[S](=O)(=O)NC(=O)[C@@H](N)CC(O)=O)[C@@H](O)[C@H]2O)C1=O
Canonical SMILESOpenEye OEToolkits2.0.6 CN1C(=O)C=CN(C1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COS(=O)(=O)NC(=O)[C@H](CC(=O)O)N)O)O
InChIInChI1.03 InChI=1S/C14H20N4O11S/c1-17-8(19)2-3-18(14(17)25)13-11(23)10(22)7(29-13)5-28-30(26,27)16-12(24)6(15)4-9(20)21/h2-3,6-7,10-11,13,22-23H,4-5,15H2,1H3,(H,16,24)(H,20,21)/t6-,7+,10+,11+,13+/m0/s1
InChIKeyInChI1.03 ICPNIEAOMPRPLI-MQZAXFGZSA-N

Related Resource References

Resource NameReference
PubChem 145706981