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Summary Geometry Related PDB entries

L7U

Summary

Name:	~{N}-[2-[2-(dimethylamino)ethyldisulfanyl]ethyl]-1-[(2~{R})-2-(6-methoxynaphthalen-2-yl)propanoyl]piperidine-4-carboxamide
Formula:	C26 H37 N3 O3 S2
Formal charge:	0
Formula weight:	503.72 Da
Component type:	non-polymer

Chemical Identifiers

Program	Version	Name
OpenEye OEToolkits	3.1.0.0	~{N}-[2-[2-(dimethylamino)ethyldisulfanyl]ethyl]-1-[(2~{R})-2-(6-methoxynaphthalen-2-yl)propanoyl]piperidine-4-carboxamide

Chemical Descriptors

Type	Program	Version	Descriptor
InChI	InChI	1.06	InChI=1S/C26H37N3O3S2/c1-19(21-5-6-23-18-24(32-4)8-7-22(23)17-21)26(31)29-12-9-20(10-13-29)25(30)27-11-15-33-34-16-14-28(2)3/h5-8,17-20H,9-16H2,1-4H3,(H,27,30)/t19-/m1/s1
InChIKey	InChI	1.06	DZVLAKKQKOIIMO-LJQANCHMSA-N
SMILES_CANONICAL	CACTVS	3.385	COc1ccc2cc(ccc2c1)[C@@H](C)C(=O)N3CCC(CC3)C(=O)NCCSSCCN(C)C
SMILES	CACTVS	3.385	COc1ccc2cc(ccc2c1)[CH](C)C(=O)N3CCC(CC3)C(=O)NCCSSCCN(C)C
SMILES_CANONICAL	OpenEye OEToolkits	3.1.0.0	C[C@H](c1ccc2cc(ccc2c1)OC)C(=O)N3CCC(CC3)C(=O)NCCSSCCN(C)C
SMILES	OpenEye OEToolkits	3.1.0.0	CC(c1ccc2cc(ccc2c1)OC)C(=O)N3CCC(CC3)C(=O)NCCSSCCN(C)C

222415

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