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Summary Geometry Related PDB entries

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Summary

Name:	(5R)-7-(4-hydroxyphenyl)-1,8-dithia-3-azaspiro[4.5]dec-6-ene-2,4-dione
Formula:	C13 H11 N O3 S2
Formal charge:	0
Formula weight:	293.361 Da
Component type:	non-polymer

Chemical Identifiers

Program	Version	Name
ACDLabs	12.01	(5R)-7-(4-hydroxyphenyl)-1,8-dithia-3-azaspiro[4.5]dec-6-ene-2,4-dione
OpenEye OEToolkits	2.0.7	(5~{R})-7-(4-hydroxyphenyl)-1,8-dithia-3-azaspiro[4.5]dec-6-ene-2,4-dione

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	Oc1ccc(cc1)C1=CC2(CCS1)SC(=O)NC2=O
InChI	InChI	1.06	InChI=1S/C13H11NO3S2/c15-9-3-1-8(2-4-9)10-7-13(5-6-18-10)11(16)14-12(17)19-13/h1-4,7,15H,5-6H2,(H,14,16,17)/t13-/m1/s1
InChIKey	InChI	1.06	VJAVMIFSWYAVBZ-CYBMUJFWSA-N
SMILES_CANONICAL	CACTVS	3.385	Oc1ccc(cc1)C2=C[C@@]3(CCS2)SC(=O)NC3=O
SMILES	CACTVS	3.385	Oc1ccc(cc1)C2=C[C]3(CCS2)SC(=O)NC3=O
SMILES_CANONICAL	OpenEye OEToolkits	2.0.7	c1cc(ccc1C2=C[C@]3(CCS2)C(=O)NC(=O)S3)O
SMILES	OpenEye OEToolkits	2.0.7	c1cc(ccc1C2=CC3(CCS2)C(=O)NC(=O)S3)O

221371

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