Chemical Components in the PDB

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5ZZ : Summary

Code

5ZZ

One-letter code

X

Molecule name

(2~{R},4~{R})-2,5,5-trimethyl-1,3-thiazolidine-2,4-dicarboxylic acid

Systematic names

ProgramVersionName
OpenEye OEToolkits 2.0.4 (2~{R},4~{R})-2,5,5-trimethyl-1,3-thiazolidine-2,4-dicarboxylic acid

Formula

C8 H13 N O4 S

Formal charge

0

Molecular weight

219.258 Da

SMILES

TypeProgramVersionDescriptor
SMILES CACTVS 3.385 CC1(C)S[C](C)(N[CH]1C(O)=O)C(O)=O
SMILES OpenEye OEToolkits 2.0.4 CC1(C(NC(S1)(C)C(=O)O)C(=O)O)C
Canonical SMILES CACTVS 3.385 CC1(C)S[C@@](C)(N[C@@H]1C(O)=O)C(O)=O
Canonical SMILES OpenEye OEToolkits 2.0.4 C[C@]1(N[C@@H](C(S1)(C)C)C(=O)O)C(=O)O

IUPAC InChI

InChI=1S/C8H13NO4S/c1-7(2)4(5(10)11)9-8(3,14-7)6(12)13/h4,9H,1-3H3,(H,10,11)(H,12,13)/t4-,8-/m1/s1

IUPAC InChI key

VYZKCSMVPAWSBH-SPGJFGJESA-N
5ZZ

wwPDB Information

Atom count

27 (14 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2016-01-06

Last modified at

2016-04-01

Status

Released

Obsoleted

Not Assigned