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Summary Geometry Related PDB entries

RL5

Summary

Name:	1-(2-{[2-(ethylamino)-1,3-thiazole-5-carbonyl]amino}ethyl)-1H-imidazole-4-carboxylic acid
Formula:	C12 H15 N5 O3 S
Formal charge:	0
Formula weight:	309.344 Da
Component type:	non-polymer

Chemical Identifiers

Program	Version	Name
ACDLabs	12.01	1-(2-{[2-(ethylamino)-1,3-thiazole-5-carbonyl]amino}ethyl)-1H-imidazole-4-carboxylic acid
OpenEye OEToolkits	2.0.7	1-[2-[[2-(ethylamino)-1,3-thiazol-5-yl]carbonylamino]ethyl]imidazole-4-carboxylic acid

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	CCNc1ncc(s1)C(=O)NCCn1cc(nc1)C(=O)O
InChI	InChI	1.06	InChI=1S/C12H15N5O3S/c1-2-13-12-15-5-9(21-12)10(18)14-3-4-17-6-8(11(19)20)16-7-17/h5-7H,2-4H2,1H3,(H,13,15)(H,14,18)(H,19,20)
InChIKey	InChI	1.06	XUTVGWPXCMPLPZ-UHFFFAOYSA-N
SMILES_CANONICAL	CACTVS	3.385	CCNc1sc(cn1)C(=O)NCCn2cnc(c2)C(O)=O
SMILES	CACTVS	3.385	CCNc1sc(cn1)C(=O)NCCn2cnc(c2)C(O)=O
SMILES_CANONICAL	OpenEye OEToolkits	2.0.7	CCNc1ncc(s1)C(=O)NCCn2cc(nc2)C(=O)O
SMILES	OpenEye OEToolkits	2.0.7	CCNc1ncc(s1)C(=O)NCCn2cc(nc2)C(=O)O

222415

건을2024-07-10부터공개중

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