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

X68

Summary

Name:	N-[(1R)-1-(4-bromophenyl)-2-(hydroxyamino)-2-oxoethyl]-N~2~-(3-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~-(3-fluorophenyl)glycinamide
OpenEye OEToolkits	2.0.7	(2~{R})-2-(4-bromophenyl)-2-[2-[(3-fluorophenyl)amino]ethanoylamino]-~{N}-oxidanyl-ethanamide

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	Brc1ccc(cc1)C(NC(=O)CNc1cccc(F)c1)C(=O)NO
InChI	InChI	1.06	InChI=1S/C16H15BrFN3O3/c17-11-6-4-10(5-7-11)15(16(23)21-24)20-14(22)9-19-13-3-1-2-12(18)8-13/h1-8,15,19,24H,9H2,(H,20,22)(H,21,23)/t15-/m1/s1
InChIKey	InChI	1.06	CJYHJSOVGCDGDR-OAHLLOKOSA-N
SMILES_CANONICAL	CACTVS	3.385	ONC(=O)[C@H](NC(=O)CNc1cccc(F)c1)c2ccc(Br)cc2
SMILES	CACTVS	3.385	ONC(=O)[CH](NC(=O)CNc1cccc(F)c1)c2ccc(Br)cc2
SMILES_CANONICAL	OpenEye OEToolkits	2.0.7	c1cc(cc(c1)F)NCC(=O)N[C@H](c2ccc(cc2)Br)C(=O)NO
SMILES	OpenEye OEToolkits	2.0.7	c1cc(cc(c1)F)NCC(=O)NC(c2ccc(cc2)Br)C(=O)NO

218853

PDB entries from 2024-04-24

PDB statistics

PDBj update info

Contact PDBj

numon