TAZ

Summary

Chemical Identifiers

Program	Version	Name
ACDLabs	14.52	(1S,2S,3S,5R)-3-methyl-4,4,7-trioxo-3-[(1H-1,2,3-triazol-1-yl)methyl]-4lambda~6~-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
OpenEye OEToolkits	3.1.0.0	(2~{S},3~{S},5~{R})-3-methyl-4,4,7-tris(oxidanylidene)-3-(1,2,3-triazol-1-ylmethyl)-4$l^{6}-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid

Type	Program	Version	Descriptor
SMILES	ACDLabs	14.52	O=S1(=O)C2CC(=O)N2C(C(=O)O)C1(C)Cn1ccnn1
InChI	InChI	1.06	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+/m1/s1
InChIKey	InChI	1.06	LPQZKKCYTLCDGQ-WEDXCCLWSA-N
SMILES_CANONICAL	CACTVS	3.385	C[C@]1(Cn2ccnn2)[C@@H](N3[C@@H](CC3=O)[S]1(=O)=O)C(O)=O
SMILES	CACTVS	3.385	C[C]1(Cn2ccnn2)[CH](N3[CH](CC3=O)[S]1(=O)=O)C(O)=O
SMILES_CANONICAL	OpenEye OEToolkits	3.1.0.0	C[C@@]1([C@@H](N2[C@H](S1(=O)=O)CC2=O)C(=O)O)Cn3ccnn3
SMILES	OpenEye OEToolkits	3.1.0.0	CC1(C(N2C(S1(=O)=O)CC2=O)C(=O)O)Cn3ccnn3