Chemical Components in the PDB

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TIZ : Summary

Code

TIZ

One-letter code

X

Molecule name

(1R)-1-[4-(AMINOCARBONYL)-1,3-THIAZOL-2-YL]-1,4-ANHYDRO-D-RIBITOL

Synonyms

TIAZOFURIN

Systematic names

ProgramVersionName
ACDLabs 10.04 (1R)-1,4-anhydro-1-(4-carbamoyl-1,3-thiazol-2-yl)-D-ribitol
OpenEye OEToolkits 1.5.0 2-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,3-thiazole-4-carboxamide

Formula

C9 H12 N2 O5 S

Formal charge

0

Molecular weight

260.267 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 O=C(c1nc(sc1)C2OC(C(O)C2O)CO)N
SMILES CACTVS 3.341 NC(=O)c1csc(n1)[CH]2O[CH](CO)[CH](O)[CH]2O
SMILES OpenEye OEToolkits 1.5.0 c1c(nc(s1)C2C(C(C(O2)CO)O)O)C(=O)N
Canonical SMILES CACTVS 3.341 NC(=O)c1csc(n1)[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O
Canonical SMILES OpenEye OEToolkits 1.5.0 c1c(nc(s1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O)C(=O)N

IUPAC InChI

InChI=1S/C9H12N2O5S/c10-8(15)3-2-17-9(11-3)7-6(14)5(13)4(1-12)16-7/h2,4-7,12-14H,1H2,(H2,10,15)/t4-,5-,6-,7-/m1/s1

IUPAC InChI key

FVRDYQYEVDDKCR-DBRKOABJSA-N
TIZ

wwPDB Information

Atom count

29 (17 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2007-03-08

Last modified at

2021-03-01

Status

Released

Obsoleted

Not Assigned