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

PDM

Summary

Name:	4-[4-(2,5-DIOXO-PYRROLIDIN-1-YL)-PHENYLAMINO]-4-HYDROXY-BUTYRIC ACID
Synonyms:	PARA-PHENYL DIMALEMIDE
Formula:	C14 H16 N2 O5
Formal charge:	0
Formula weight:	292.287 Da
Component type:	NON-POLYMER

Chemical Identifiers

Program	Version	Name
ACDLabs	10.04	(4S)-4-{[4-(2,5-dioxopyrrolidin-1-yl)phenyl]amino}-4-hydroxybutanoic acid
OpenEye OEToolkits	1.5.0	4-[[4-(2,5-dioxopyrrolidin-1-yl)phenyl]amino]-4-hydroxy-butanoic acid

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	O=C(O)CCC(O)Nc1ccc(cc1)N2C(=O)CCC2=O
SMILES_CANONICAL	CACTVS	3.341	O[C@@H](CCC(O)=O)Nc1ccc(cc1)N2C(=O)CCC2=O
SMILES	CACTVS	3.341	O[CH](CCC(O)=O)Nc1ccc(cc1)N2C(=O)CCC2=O
SMILES_CANONICAL	OpenEye OEToolkits	1.5.0	c1cc(ccc1NC(CCC(=O)O)O)N2C(=O)CCC2=O
SMILES	OpenEye OEToolkits	1.5.0	c1cc(ccc1NC(CCC(=O)O)O)N2C(=O)CCC2=O
InChI	InChI	1.03	InChI=1S/C14H16N2O5/c17-11(5-8-14(20)21)15-9-1-3-10(4-2-9)16-12(18)6-7-13(16)19/h1-4,11,15,17H,5-8H2,(H,20,21)/t11-/m0/s1
InChIKey	InChI	1.03	SUETUOGYOWOLNJ-NSHDSACASA-N

219140

PDB entries from 2024-05-01

PDB statistics

PDBj update info

Contact PDBj

numon