Chemical Components in the PDB

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6WK : Summary

Code

6WK

One-letter code

C

Molecule name

(2~{R})-2-azanyl-3-[[(2~{S},3~{S})-2,3-bis(oxidanyl)-4-sulfanyl-butyl]disulfanyl]propanoic acid

Systematic names

ProgramVersionName
OpenEye OEToolkits 2.0.5 (2~{R})-2-azanyl-3-[[(2~{S},3~{S})-2,3-bis(oxidanyl)-4-sulfanyl-butyl]disulfanyl]propanoic acid

Formula

C7 H15 N O4 S3

Formal charge

0

Molecular weight

273.393 Da

SMILES

TypeProgramVersionDescriptor
SMILES CACTVS 3.385 N[CH](CSSC[CH](O)[CH](O)CS)C(O)=O
SMILES OpenEye OEToolkits 2.0.5 C(C(C(CSSCC(C(=O)O)N)O)O)S
Canonical SMILES CACTVS 3.385 N[C@@H](CSSC[C@@H](O)[C@H](O)CS)C(O)=O
Canonical SMILES OpenEye OEToolkits 2.0.5 C([C@H]([C@@H](CSSC[C@@H](C(=O)O)N)O)O)S

IUPAC InChI

InChI=1S/C7H15NO4S3/c8-4(7(11)12)2-14-15-3-6(10)5(9)1-13/h4-6,9-10,13H,1-3,8H2,(H,11,12)/t4-,5+,6+/m0/s1

IUPAC InChI key

CWMXJTTVAJOZEM-KVQBGUIXSA-N
6WK

wwPDB Information

Atom count

30 (15 without Hydrogen)

Polymer type

Amino Acid

Type description

L-PEPTIDE LINKING

Type code

ATOMP

Is modified

Yes

Standard parent

CYS

Defined at

2016-07-11

Last modified at

2018-11-10

Status

Released

Obsoleted

Not Assigned