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Summary Geometry Related PDB entries

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Summary

Name:	(2S)-6-[(4-fluorobenzyl)amino]-2-[(2R)-2-(4-fluorophenyl)-2-methoxyethyl]-N-hydroxyhexanamide
Formula:	C22 H28 F2 N2 O3
Formal charge:	0
Formula weight:	406.466 Da
Component type:	NON-POLYMER

Chemical Identifiers

Program	Version	Name
ACDLabs	12.01	(2S)-6-[(4-fluorobenzyl)amino]-2-[(2R)-2-(4-fluorophenyl)-2-methoxyethyl]-N-hydroxyhexanamide
OpenEye OEToolkits	1.7.6	(2S)-2-[(2R)-2-(4-fluorophenyl)-2-methoxy-ethyl]-6-[(4-fluorophenyl)methylamino]-N-oxidanyl-hexanamide

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	Fc1ccc(cc1)CNCCCCC(C(=O)NO)CC(OC)c2ccc(F)cc2
InChI	InChI	1.03	InChI=1S/C22H28F2N2O3/c1-29-21(17-7-11-20(24)12-8-17)14-18(22(27)26-28)4-2-3-13-25-15-16-5-9-19(23)10-6-16/h5-12,18,21,25,28H,2-4,13-15H2,1H3,(H,26,27)/t18-,21+/m0/s1
InChIKey	InChI	1.03	SZPWYHRMRFNOHH-GHTZIAJQSA-N
SMILES_CANONICAL	CACTVS	3.370	CO[C@H](C[C@H](CCCCNCc1ccc(F)cc1)C(=O)NO)c2ccc(F)cc2
SMILES	CACTVS	3.370	CO[CH](C[CH](CCCCNCc1ccc(F)cc1)C(=O)NO)c2ccc(F)cc2
SMILES_CANONICAL	OpenEye OEToolkits	1.7.6	CO[C@H](C[C@H](CCCCNCc1ccc(cc1)F)C(=O)NO)c2ccc(cc2)F
SMILES	OpenEye OEToolkits	1.7.6	COC(CC(CCCCNCc1ccc(cc1)F)C(=O)NO)c2ccc(cc2)F

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