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

84H

Summary

Name:	(5S)-5-[([1,1'-biphenyl]-4-yl)methyl]-4-methoxy-1,5-dihydro-2H-pyrrol-2-one
Formula:	C18 H17 N O2
Formal charge:	0
Formula weight:	279.333 Da
Component type:	non-polymer

Chemical Identifiers

Program	Version	Name
ACDLabs	12.01	(5S)-5-[([1,1'-biphenyl]-4-yl)methyl]-4-methoxy-1,5-dihydro-2H-pyrrol-2-one
OpenEye OEToolkits	2.0.7	(2~{S})-3-methoxy-2-[(4-phenylphenyl)methyl]-1,2-dihydropyrrol-5-one

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=C1C=C(OC)C(Cc2ccc(cc2)c2ccccc2)N1
InChI	InChI	1.03	InChI=1S/C18H17NO2/c1-21-17-12-18(20)19-16(17)11-13-7-9-15(10-8-13)14-5-3-2-4-6-14/h2-10,12,16H,11H2,1H3,(H,19,20)/t16-/m0/s1
InChIKey	InChI	1.03	OKOKOZKDCPHCCP-INIZCTEOSA-N
SMILES_CANONICAL	CACTVS	3.385	COC1=CC(=O)N[C@H]1Cc2ccc(cc2)c3ccccc3
SMILES	CACTVS	3.385	COC1=CC(=O)N[CH]1Cc2ccc(cc2)c3ccccc3
SMILES_CANONICAL	OpenEye OEToolkits	2.0.7	COC1=CC(=O)N[C@H]1Cc2ccc(cc2)c3ccccc3
SMILES	OpenEye OEToolkits	2.0.7	COC1=CC(=O)NC1Cc2ccc(cc2)c3ccccc3

250835

PDB entries from 2026-03-18

PDB statistics

PDBj update info

Contact PDBj

numon