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Summary Geometry Related PDB entries

JWA

Summary

Name:	N-({4-[3-(cyclopentylsulfamoyl)-4-methylphenyl]-3-methyl-1,2-oxazol-5-yl}methyl)acetamide
Formula:	C19 H25 N3 O4 S
Formal charge:	0
Formula weight:	391.485 Da
Component type:	NON-POLYMER

Chemical Identifiers

Program	Version	Name
ACDLabs	12.01	N-({4-[3-(cyclopentylsulfamoyl)-4-methylphenyl]-3-methyl-1,2-oxazol-5-yl}methyl)acetamide
OpenEye OEToolkits	2.0.6	~{N}-[[4-[3-(cyclopentylsulfamoyl)-4-methyl-phenyl]-3-methyl-1,2-oxazol-5-yl]methyl]ethanamide

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	c1c(c(ccc1c2c(noc2CNC(=O)C)C)C)S(=O)(=O)NC3CCCC3
InChI	InChI	1.03	InChI=1S/C19H25N3O4S/c1-12-8-9-15(19-13(2)21-26-17(19)11-20-14(3)23)10-18(12)27(24,25)22-16-6-4-5-7-16/h8-10,16,22H,4-7,11H2,1-3H3,(H,20,23)
InChIKey	InChI	1.03	WUVRAMLGTYQHNJ-UHFFFAOYSA-N
SMILES_CANONICAL	CACTVS	3.385	CC(=O)NCc1onc(C)c1c2ccc(C)c(c2)[S](=O)(=O)NC3CCCC3
SMILES	CACTVS	3.385	CC(=O)NCc1onc(C)c1c2ccc(C)c(c2)[S](=O)(=O)NC3CCCC3
SMILES_CANONICAL	OpenEye OEToolkits	2.0.6	Cc1ccc(cc1S(=O)(=O)NC2CCCC2)c3c(noc3CNC(=O)C)C
SMILES	OpenEye OEToolkits	2.0.6	Cc1ccc(cc1S(=O)(=O)NC2CCCC2)c3c(noc3CNC(=O)C)C

219140

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