Chemical Components in the PDB

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CJ8 : Summary

Code

CJ8

One-letter code

X

Molecule name

(2~{R},3~{R})-2,3-bis(oxidanyl)-~{N},~{N}'-dipropyl-butanediamide

Systematic names

ProgramVersionName
OpenEye OEToolkits 2.0.6 (2~{R},3~{R})-2,3-bis(oxidanyl)-~{N},~{N}'-dipropyl-butanediamide

Formula

C10 H20 N2 O4

Formal charge

0

Molecular weight

232.277 Da

SMILES

TypeProgramVersionDescriptor
SMILES CACTVS 3.385 CCCNC(=O)[CH](O)[CH](O)C(=O)NCCC
SMILES OpenEye OEToolkits 2.0.6 CCCNC(=O)C(C(C(=O)NCCC)O)O
Canonical SMILES CACTVS 3.385 CCCNC(=O)[C@H](O)[C@@H](O)C(=O)NCCC
Canonical SMILES OpenEye OEToolkits 2.0.6 CCCNC(=O)[C@@H]([C@H](C(=O)NCCC)O)O

IUPAC InChI

InChI=1S/C10H20N2O4/c1-3-5-11-9(15)7(13)8(14)10(16)12-6-4-2/h7-8,13-14H,3-6H2,1-2H3,(H,11,15)(H,12,16)/t7-,8-/m1/s1

IUPAC InChI key

GCNAACQQQUCOMO-HTQZYQBOSA-N
CJ8

wwPDB Information

Atom count

36 (16 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2017-11-28

Last modified at

2018-09-14

Status

Released

Obsoleted

Not Assigned