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TAZ : Summary
Code
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TAZ
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One-letter code
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X
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Molecule name
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TAZOBACTAM
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Systematic names
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Formula
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C10 H12 N4 O5 S
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Formal charge
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0
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Molecular weight
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300.291 Da
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SMILES
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Type | Program | Version | Descriptor |
SMILES
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ACDLabs |
10.04 |
O=S2(=O)C(C(N1C(=O)CC12)C(=O)O)(Cn3nncc3)C |
SMILES
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CACTVS |
3.341 |
C[C]1(Cn2ccnn2)[CH](N3[CH](CC3=O)[S]1(=O)=O)C(O)=O |
SMILES
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OpenEye OEToolkits |
1.5.0 |
CC1(C(N2C(S1(=O)=O)CC2=O)C(=O)O)Cn3ccnn3 |
Canonical SMILES
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CACTVS |
3.341 |
C[C@]1(Cn2ccnn2)[C@@H](N3[C@H](CC3=O)[S]1(=O)=O)C(O)=O |
Canonical SMILES
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OpenEye OEToolkits |
1.5.0 |
C[C@@]1([C@@H](N2[C@@H](S1(=O)=O)CC2=O)C(=O)O)Cn3ccnn3 |
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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 |
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wwPDB Information |
Atom count
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32 (20 without Hydrogen)
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Polymer type
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Bound ligand
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Type description
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NON-POLYMER
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Type code
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HETAIN
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Is modified
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No
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Standard parent
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Not Assigned
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Defined at
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2000-11-21
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Last modified at
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2011-06-04
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Status
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Released
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Obsoleted
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Not Assigned
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