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

917

Summary

Name:	N-({(5S)-2-oxo-3-[4-(1,3-thiazol-5-yl)phenyl]-1,3-oxazolidin-5-yl}methyl)acetamide
Synonyms:	Llinezolid-114
Formula:	C15 H15 N3 O3 S
Formal charge:	0
Formula weight:	317.363 Da
Component type:	NON-POLYMER

Chemical Identifiers

Program	Version	Name
ACDLabs	12.01	N-({(5S)-2-oxo-3-[4-(1,3-thiazol-5-yl)phenyl]-1,3-oxazolidin-5-yl}methyl)acetamide
OpenEye OEToolkits	2.0.6	~{N}-[[(5~{S})-2-oxidanylidene-3-[4-(1,3-thiazol-5-yl)phenyl]-1,3-oxazolidin-5-yl]methyl]ethanamide

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	c2cc(c1cncs1)ccc2N3CC(CNC(C)=O)OC3=O
InChI	InChI	1.03	InChI=1S/C15H15N3O3S/c1-10(19)17-6-13-8-18(15(20)21-13)12-4-2-11(3-5-12)14-7-16-9-22-14/h2-5,7,9,13H,6,8H2,1H3,(H,17,19)/t13-/m0/s1
InChIKey	InChI	1.03	WTZZWIUUAPRUHM-ZDUSSCGKSA-N
SMILES_CANONICAL	CACTVS	3.385	CC(=O)NC[C@H]1CN(C(=O)O1)c2ccc(cc2)c3scnc3
SMILES	CACTVS	3.385	CC(=O)NC[CH]1CN(C(=O)O1)c2ccc(cc2)c3scnc3
SMILES_CANONICAL	OpenEye OEToolkits	2.0.6	CC(=O)NC[C@H]1CN(C(=O)O1)c2ccc(cc2)c3cncs3
SMILES	OpenEye OEToolkits	2.0.6	CC(=O)NCC1CN(C(=O)O1)c2ccc(cc2)c3cncs3

218853

PDB entries from 2024-04-24

PDB statistics

PDBj update info

Contact PDBj

numon