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Summary Geometry Related PDB entries

S2Q

Summary

Name:	3-propan-2-yl-~{N}-[(1~{R})-1-(3-sulfamoylphenyl)ethyl]-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide
Formula:	C18 H20 N4 O4 S
Formal charge:	0
Formula weight:	388.441 Da
Component type:	non-polymer

Chemical Identifiers

Program	Version	Name
OpenEye OEToolkits	2.0.7	3-propan-2-yl-~{N}-[(1~{R})-1-(3-sulfamoylphenyl)ethyl]-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide

Chemical Descriptors

Type	Program	Version	Descriptor
InChI	InChI	1.03	InChI=1S/C18H20N4O4S/c1-10(2)16-15-8-13(9-20-18(15)26-22-16)17(23)21-11(3)12-5-4-6-14(7-12)27(19,24)25/h4-11H,1-3H3,(H,21,23)(H2,19,24,25)/t11-/m1/s1
InChIKey	InChI	1.03	HRWBSXDFUWMVHN-LLVKDONJSA-N
SMILES_CANONICAL	CACTVS	3.385	CC(C)c1noc2ncc(cc12)C(=O)N[C@H](C)c3cccc(c3)[S](N)(=O)=O
SMILES	CACTVS	3.385	CC(C)c1noc2ncc(cc12)C(=O)N[CH](C)c3cccc(c3)[S](N)(=O)=O
SMILES_CANONICAL	OpenEye OEToolkits	2.0.7	C[C@H](c1cccc(c1)S(=O)(=O)N)NC(=O)c2cc3c(noc3nc2)C(C)C
SMILES	OpenEye OEToolkits	2.0.7	CC(C)c1c2cc(cnc2on1)C(=O)NC(C)c3cccc(c3)S(=O)(=O)N

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