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Summary Geometry Related PDB entries

5S5

Summary

Name:	~{N}-[(1~{S})-2-[(4-methoxy-2,5-dimethyl-phenyl)methylamino]-1-phenyl-ethyl]-5-methyl-1,2-oxazole-3-carboxamide
Formula:	C23 H27 N3 O3
Formal charge:	0
Formula weight:	393.479 Da
Component type:	NON-POLYMER

Chemical Identifiers

Program	Version	Name
OpenEye OEToolkits	2.0.4	~{N}-[(1~{S})-2-[(4-methoxy-2,5-dimethyl-phenyl)methylamino]-1-phenyl-ethyl]-5-methyl-1,2-oxazole-3-carboxamide

Chemical Descriptors

Type	Program	Version	Descriptor
InChI	InChI	1.03	InChI=1S/C23H27N3O3/c1-15-11-22(28-4)16(2)10-19(15)13-24-14-21(18-8-6-5-7-9-18)25-23(27)20-12-17(3)29-26-20/h5-12,21,24H,13-14H2,1-4H3,(H,25,27)/t21-/m1/s1
InChIKey	InChI	1.03	JWARISOWNKYPRB-OAQYLSRUSA-N
SMILES_CANONICAL	CACTVS	3.385	COc1cc(C)c(CNC[C@@H](NC(=O)c2cc(C)on2)c3ccccc3)cc1C
SMILES	CACTVS	3.385	COc1cc(C)c(CNC[CH](NC(=O)c2cc(C)on2)c3ccccc3)cc1C
SMILES_CANONICAL	OpenEye OEToolkits	2.0.4	Cc1cc(c(cc1OC)C)CNC[C@H](c2ccccc2)NC(=O)c3cc(on3)C
SMILES	OpenEye OEToolkits	2.0.4	Cc1cc(c(cc1OC)C)CNCC(c2ccccc2)NC(=O)c3cc(on3)C

225681

건을2024-10-02부터공개중

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