English 日本語简体中文繁體中文 한국어

✖

Menu

RCSB PDB PDBe BMRB Adv. Search Search help

Summary Geometry Related PDB entries

X4O

Summary

Name:	N-[(1R)-1-(4-bromophenyl)-2-(hydroxyamino)-2-oxoethyl]-N~2~-(4-fluorophenyl)glycinamide
Formula:	C16 H15 Br F N3 O3
Formal charge:	0
Formula weight:	396.211 Da
Component type:	non-polymer

Chemical Identifiers

Program	Version	Name
ACDLabs	12.01	N-[(1R)-1-(4-bromophenyl)-2-(hydroxyamino)-2-oxoethyl]-N~2~-(4-fluorophenyl)glycinamide
OpenEye OEToolkits	2.0.7	(2~{R})-2-(4-bromophenyl)-2-[2-[(4-fluorophenyl)amino]ethanoylamino]-~{N}-oxidanyl-ethanamide

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	Brc1ccc(cc1)C(NC(=O)CNc1ccc(F)cc1)C(=O)NO
InChI	InChI	1.06	InChI=1S/C16H15BrFN3O3/c17-11-3-1-10(2-4-11)15(16(23)21-24)20-14(22)9-19-13-7-5-12(18)6-8-13/h1-8,15,19,24H,9H2,(H,20,22)(H,21,23)/t15-/m1/s1
InChIKey	InChI	1.06	VZOVWNGCSCSUGQ-OAHLLOKOSA-N
SMILES_CANONICAL	CACTVS	3.385	ONC(=O)[C@H](NC(=O)CNc1ccc(F)cc1)c2ccc(Br)cc2
SMILES	CACTVS	3.385	ONC(=O)[CH](NC(=O)CNc1ccc(F)cc1)c2ccc(Br)cc2
SMILES_CANONICAL	OpenEye OEToolkits	2.0.7	c1cc(ccc1[C@H](C(=O)NO)NC(=O)CNc2ccc(cc2)F)Br
SMILES	OpenEye OEToolkits	2.0.7	c1cc(ccc1C(C(=O)NO)NC(=O)CNc2ccc(cc2)F)Br

221371

PDB entries from 2024-06-19

PDB statistics

PDBj update info

Contact PDBj

numon