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Summary Geometry Related PDB entries

8KV

Summary

Name:	N-{(1S)-1-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]ethyl}-N'-phenylurea
Formula:	C19 H19 N3 O3
Formal charge:	0
Formula weight:	337.372 Da
Component type:	NON-POLYMER

Chemical Identifiers

Program	Version	Name
ACDLabs	12.01	N-{(1S)-1-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]ethyl}-N'-phenylurea
OpenEye OEToolkits	2.0.6	1-[(1~{S})-1-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]ethyl]-3-phenyl-urea

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	c3(NC(NC(C)c1cc(OC)c(cc1)c2cnco2)=O)ccccc3
InChI	InChI	1.03	InChI=1S/C19H19N3O3/c1-13(21-19(23)22-15-6-4-3-5-7-15)14-8-9-16(17(10-14)24-2)18-11-20-12-25-18/h3-13H,1-2H3,(H2,21,22,23)/t13-/m0/s1
InChIKey	InChI	1.03	UDNLNRJCNHAFEZ-ZDUSSCGKSA-N
SMILES_CANONICAL	CACTVS	3.385	COc1cc(ccc1c2ocnc2)[C@H](C)NC(=O)Nc3ccccc3
SMILES	CACTVS	3.385	COc1cc(ccc1c2ocnc2)[CH](C)NC(=O)Nc3ccccc3
SMILES_CANONICAL	OpenEye OEToolkits	2.0.6	C[C@@H](c1ccc(c(c1)OC)c2cnco2)NC(=O)Nc3ccccc3
SMILES	OpenEye OEToolkits	2.0.6	CC(c1ccc(c(c1)OC)c2cnco2)NC(=O)Nc3ccccc3

223166

数据于2024-07-31公开中

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