Chemical Components in the PDB

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XLX : Summary

Code

XLX

One-letter code

X

Molecule name

4,4'-(ethylenediimino)bis[4-oxobutyrate]

Synonyms

1,2-bis(maleimido)ethane, hydrolyzed open form

Systematic names

ProgramVersionName
ACDLabs 12.01 5-({2-[(3-carboxypropanoyl)amino]ethyl}amino)-5-oxopentanoic acid
OpenEye OEToolkits 1.7.6 5-oxidanylidene-5-[2-[(4-oxidanyl-4-oxidanylidene-butanoyl)amino]ethylamino]pentanoic acid

Formula

C11 H18 N2 O6

Formal charge

0

Molecular weight

274.27 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 O=C(NCCNC(=O)CCC(=O)O)CCCC(=O)O
SMILES CACTVS 3.370 OC(=O)CCCC(=O)NCCNC(=O)CCC(O)=O
SMILES OpenEye OEToolkits 1.7.6 C(CC(=O)NCCNC(=O)CCC(=O)O)CC(=O)O
Canonical SMILES CACTVS 3.370 OC(=O)CCCC(=O)NCCNC(=O)CCC(O)=O
Canonical SMILES OpenEye OEToolkits 1.7.6 C(CC(=O)NCCNC(=O)CCC(=O)O)CC(=O)O

IUPAC InChI

InChI=1S/C11H18N2O6/c14-8(2-1-3-10(16)17)12-6-7-13-9(15)4-5-11(18)19/h1-7H2,(H,12,14)(H,13,15)(H,16,17)(H,18,19)

IUPAC InChI key

JUHMDCQKNGDTCV-UHFFFAOYSA-N
XLX

wwPDB Information

Atom count

37 (19 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2012-08-06

Last modified at

2021-03-13

Status

Released

Obsoleted

Not Assigned