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Summary Geometry Related PDB entries

6ZY

Summary

Name:	2,3,5-trimethyl-6-[3-oxo-3-(piperidin-1-yl)propyl]-7H-furo[3,2-g][1]benzopyran-7-one
Formula:	C22 H25 N O4
Formal charge:	0
Formula weight:	367.438 Da
Component type:	NON-POLYMER

Chemical Identifiers

Program	Version	Name
ACDLabs	12.01	2,3,5-trimethyl-6-[3-oxo-3-(piperidin-1-yl)propyl]-7H-furo[3,2-g][1]benzopyran-7-one
OpenEye OEToolkits	2.0.5	2,3,5-trimethyl-6-(3-oxidanylidene-3-piperidin-1-yl-propyl)furo[3,2-g]chromen-7-one

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	C2(=O)C(CCC(=O)N1CCCCC1)=C(c3c(O2)cc4c(c3)c(c(o4)C)C)C
InChI	InChI	1.03	InChI=1S/C22H25NO4/c1-13-15(3)26-19-12-20-18(11-17(13)19)14(2)16(22(25)27-20)7-8-21(24)23-9-5-4-6-10-23/h11-12H,4-10H2,1-3H3
InChIKey	InChI	1.03	SHGFQSFSJDFZLK-UHFFFAOYSA-N
SMILES_CANONICAL	CACTVS	3.385	Cc1oc2cc3OC(=O)C(=C(C)c3cc2c1C)CCC(=O)N4CCCCC4
SMILES	CACTVS	3.385	Cc1oc2cc3OC(=O)C(=C(C)c3cc2c1C)CCC(=O)N4CCCCC4
SMILES_CANONICAL	OpenEye OEToolkits	2.0.5	Cc1c(oc2c1cc3c(c2)OC(=O)C(=C3C)CCC(=O)N4CCCCC4)C
SMILES	OpenEye OEToolkits	2.0.5	Cc1c(oc2c1cc3c(c2)OC(=O)C(=C3C)CCC(=O)N4CCCCC4)C

222415

건을2024-07-10부터공개중

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