Chemical Components in the PDB

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TAZ : Summary

Code

TAZ

One-letter code

X

Molecule name

TAZOBACTAM

Systematic names

ProgramVersionName
ACDLabs 10.04 (2S,3S,5S)-3-methyl-7-oxo-3-(1H-1,2,3-triazol-1-ylmethyl)-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid 4,4-dioxide
OpenEye OEToolkits 1.5.0 (2S,3S,5S)-3-methyl-4,4,7-trioxo-3-(1,2,3-triazol-1-ylmethyl)-4$l^{6}-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid

Formula

C10 H12 N4 O5 S

Formal charge

0

Molecular weight

300.291 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 O=S2(=O)C(C(N1C(=O)CC12)C(=O)O)(Cn3nncc3)C
SMILES CACTVS 3.341 C[C]1(Cn2ccnn2)[CH](N3[CH](CC3=O)[S]1(=O)=O)C(O)=O
SMILES OpenEye OEToolkits 1.5.0 CC1(C(N2C(S1(=O)=O)CC2=O)C(=O)O)Cn3ccnn3
Canonical SMILES CACTVS 3.341 C[C@]1(Cn2ccnn2)[C@@H](N3[C@H](CC3=O)[S]1(=O)=O)C(O)=O
Canonical SMILES OpenEye OEToolkits 1.5.0 C[C@@]1([C@@H](N2[C@@H](S1(=O)=O)CC2=O)C(=O)O)Cn3ccnn3

IUPAC InChI

InChI=1S/C10H12N4O5S/c1-10(5-13-3-2-11-12-13)8(9(16)17)14-6(15)4-7(14)20(10,18)19/h2-3,7-8H,4-5H2,1H3,(H,16,17)/t7-,8-,10-/m0/s1

IUPAC InChI key

LPQZKKCYTLCDGQ-NRPADANISA-N
TAZ

wwPDB Information

Atom count

32 (20 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2000-11-21

Last modified at

2011-06-04

Status

Released

Obsoleted

Not Assigned