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Summary Geometry Related PDB entries

6GA

Summary

Name:	(2S)-N~1~-benzyl-2-[(4-fluorophenyl)methyl]-N~3~-hydroxypropanediamide
Formula:	C17 H17 F N2 O3
Formal charge:	0
Formula weight:	316.327 Da
Component type:	NON-POLYMER

Chemical Identifiers

Program	Version	Name
ACDLabs	12.01	(2S)-N~1~-benzyl-2-[(4-fluorophenyl)methyl]-N~3~-hydroxypropanediamide
OpenEye OEToolkits	2.0.4	(2~{S})-2-[(4-fluorophenyl)methyl]-~{N}-oxidanyl-~{N}'-(phenylmethyl)propanediamide

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=C(NCc1ccccc1)C(C(=O)NO)Cc2ccc(cc2)F
InChI	InChI	1.03	InChI=1S/C17H17FN2O3/c18-14-8-6-12(7-9-14)10-15(17(22)20-23)16(21)19-11-13-4-2-1-3-5-13/h1-9,15,23H,10-11H2,(H,19,21)(H,20,22)/t15-/m0/s1
InChIKey	InChI	1.03	UBULRDFJXZRBJH-HNNXBMFYSA-N
SMILES_CANONICAL	CACTVS	3.385	ONC(=O)[C@@H](Cc1ccc(F)cc1)C(=O)NCc2ccccc2
SMILES	CACTVS	3.385	ONC(=O)[CH](Cc1ccc(F)cc1)C(=O)NCc2ccccc2
SMILES_CANONICAL	OpenEye OEToolkits	2.0.4	c1ccc(cc1)CNC(=O)[C@H](Cc2ccc(cc2)F)C(=O)NO
SMILES	OpenEye OEToolkits	2.0.4	c1ccc(cc1)CNC(=O)C(Cc2ccc(cc2)F)C(=O)NO

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