G5H Ligand Summary Page - RCSB PDB

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247,086Structures from the PDB archive 1,068,577Computed Structure Models (CSM)

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Data API G5H

5'-O-(N-(L-aspartyl)-sulfamoyl)uridine

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

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1 entries where G5H is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	47
Chiral Atom Count	5
Bond Count	48
Aromatic Bond Count	0

Toggle HydrogenToggle Labels

Chemical Component Summary
Name	5'-O-(N-(L-aspartyl)-sulfamoyl)uridine
Systematic Name (OpenEye OEToolkits)	(3~{S})-3-azanyl-4-[[(2~{R},3~{S},4~{R},5~{R})-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxysulfonylamino]-4-oxidanylidene-butanoic acid
Formula	C13 H18 N4 O11 S
Molecular Weight	438.367
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	N[CH](CC(O)=O)C(=O)N[S](=O)(=O)OC[CH]1O[CH]([CH](O)[CH]1O)N2C=CC(=O)NC2=O
SMILES	OpenEye OEToolkits	2.0.6	C1=CN(C(=O)NC1=O)C2C(C(C(O2)COS(=O)(=O)NC(=O)C(CC(=O)O)N)O)O
Canonical SMILES	CACTVS	3.385	N[C@@H](CC(O)=O)C(=O)N[S](=O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)N2C=CC(=O)NC2=O
Canonical SMILES	OpenEye OEToolkits	2.0.6	C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COS(=O)(=O)NC(=O)[C@H](CC(=O)O)N)O)O
InChI	InChI	1.03	InChI=1S/C13H18N4O11S/c14-5(3-8(19)20)11(23)16-29(25,26)27-4-6-9(21)10(22)12(28-6)17-2-1-7(18)15-13(17)24/h1-2,5-6,9-10,12,21-22H,3-4,14H2,(H,16,23)(H,19,20)(H,15,18,24)/t5-,6+,9+,10+,12+/m0/s1
InChIKey	InChI	1.03	PZIPESDCQNILCW-TUVSRKGYSA-N

Related Resource References

Resource Name	Reference
PubChem	145706982

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