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Summary Geometry Related PDB entries

P3L

Summary

Name:	(4R)-6-chloro-N-[(4R)-2-oxopiperidin-4-yl]-3,4-dihydro-2H-1-benzopyran-4-carboxamide
Formula:	C15 H17 Cl N2 O3
Formal charge:	0
Formula weight:	308.76 Da
Component type:	non-polymer

Chemical Identifiers

Program	Version	Name
ACDLabs	12.01	(4R)-6-chloro-N-[(4R)-2-oxopiperidin-4-yl]-3,4-dihydro-2H-1-benzopyran-4-carboxamide
OpenEye OEToolkits	2.0.7	(4~{R})-6-chloranyl-~{N}-[(4~{R})-2-oxidanylidenepiperidin-4-yl]-3,4-dihydro-2~{H}-chromene-4-carboxamide

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=C1CC(CCN1)NC(=O)C1CCOc2ccc(Cl)cc21
InChI	InChI	1.06	InChI=1S/C15H17ClN2O3/c16-9-1-2-13-12(7-9)11(4-6-21-13)15(20)18-10-3-5-17-14(19)8-10/h1-2,7,10-11H,3-6,8H2,(H,17,19)(H,18,20)/t10-,11-/m1/s1
InChIKey	InChI	1.06	LDVBEXIDVVQUFA-GHMZBOCLSA-N
SMILES_CANONICAL	CACTVS	3.385	Clc1ccc2OCC[C@@H](C(=O)N[C@@H]3CCNC(=O)C3)c2c1
SMILES	CACTVS	3.385	Clc1ccc2OCC[CH](C(=O)N[CH]3CCNC(=O)C3)c2c1
SMILES_CANONICAL	OpenEye OEToolkits	2.0.7	c1cc2c(cc1Cl)[C@@H](CCO2)C(=O)N[C@@H]3CCNC(=O)C3
SMILES	OpenEye OEToolkits	2.0.7	c1cc2c(cc1Cl)C(CCO2)C(=O)NC3CCNC(=O)C3

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