1EG

5'-O-(L-alpha-glutamylsulfamoyl)guanosine

Created:	2013-01-03
Last modified:	2013-12-25

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1 entries where 1EG is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	54
Chiral Atom Count	5
Bond Count	56
Aromatic Bond Count	5

2D diagram of 1EG

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Chemical Component Summary
Name	5'-O-(L-alpha-glutamylsulfamoyl)guanosine
Systematic Name (OpenEye OEToolkits)	(4S)-4-azanyl-5-[[(2R,3S,4R,5R)-5-(2-azanyl-6-oxidanylidene-3H-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxysulfonylamino]-5-oxidanylidene-pentanoic acid
Formula	C₁₅ H₂₁ N₇ O₁₀ S
Molecular Weight	491.433
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=C(O)CCC(N)C(=O)NS(=O)(=O)OCC3OC(n1cnc2c1NC(=NC2=O)N)C(O)C3O
SMILES	CACTVS	3.370	N[CH](CCC(O)=O)C(=O)N[S](=O)(=O)OC[CH]1O[CH]([CH](O)[CH]1O)n2cnc3C(=O)N=C(N)Nc23
SMILES	OpenEye OEToolkits	1.7.6	c1nc2c(n1C3C(C(C(O3)COS(=O)(=O)NC(=O)C(CCC(=O)O)N)O)O)NC(=NC2=O)N
Canonical SMILES	CACTVS	3.370	N[C@@H](CCC(O)=O)C(=O)N[S](=O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n2cnc3C(=O)N=C(N)Nc23
Canonical SMILES	OpenEye OEToolkits	1.7.6	c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)COS(=O)(=O)NC(=O)[C@H](CCC(=O)O)N)O)O)NC(=NC2=O)N
InChI	InChI	1.03	InChI=1S/C15H21N7O10S/c16-5(1-2-7(23)24)12(27)21-33(29,30)31-3-6-9(25)10(26)14(32-6)22-4-18-8-11(22)19-15(17)20-13(8)28/h4-6,9-10,14,25-26H,1-3,16H2,(H,21,27)(H,23,24)(H3,17,19,20,28)/t5-,6+,9+,10+,14+/m0/s1
InChIKey	InChI	1.03	OSXZSDHEDNMZPJ-UFIIOMENSA-N

Related Resource References

Resource Name	Reference
PubChem	135566799, 72206629, 122182880, 137091085
ChEMBL	CHEMBL3596585

RCSB PDB Core Operations are funded by the U.S. National Science Foundation (DBI-2321666), the US Department of Energy (DE-SC0019749), and the National Cancer Institute, National Institute of Allergy and Infectious Diseases, and National Institute of General Medical Sciences of the National Institutes of Health under grant R01GM157729.