(6R,7R)-7-[2-(2-azanyl-1,3-thiazol-4-yl)ethanoylamino]-3-[[1-(2-dimethylaminoethyl)-1,2,3,4-tetrazol-5-yl]sulfanylmethyl]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid hydroiodide

Systemtic Name: (6R,7R)-7-[2-(2-azanyl-1,3-thiazol-4-yl)ethanoylamino]-3-[[1-(2-dimethylaminoethyl)-1,2,3,4-tetrazol-5-yl]sulfanylmethyl]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid hydroiodide Openeye Name: (6R,7R)-7-[[2-(2-aminothiazol-4-yl)acetyl]amino]-3-[[1-(2-dimethylaminoethyl)tetrazol-5-yl]sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid hydroiodide CAS Name: (6R,7R)-7-[[2-(2-amino-4-thiazolyl)-1-oxoethyl]amino]-3-[[[1-(2-dimethylaminoethyl)-5-tetrazolyl]thio]methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid hydroiodide IUPAC Name: (6R,7R)-7-[[2-(2-amino-1,3-thiazol-4-yl)acetyl]amino]-3-[[1-(2-dimethylaminoethyl)tetrazol-5-yl]sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid hydroiodide Traditional Name: (6R,7R)-7-[[2-(2-aminothiazol-4-yl)acetyl]amino]-3-[[[1-(2-dimethylaminoethyl)tetrazol-5-yl]thio]methyl]-8-keto-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid hydroiodide Formula: C18H24IN9O4S3 MolecularWeight: 653.54053

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCN1C(=NN=N1)SCC2=C(N3C(C(C3=O)NC(=O)CC4=CSC(=N4)N)SC2)C(=O)O.I

Isomeric SMILES

CN(C)CCN1C(=NN=N1)SCC2=C(N3[C@@H]([C@@H](C3=O)NC(=O)CC4=CSC(=N4)N)SC2)C(=O)O.I

InChI

InChI=1S/C18H23N9O4S3.HI/c1-25(2)3-4-26-18(22-23-24-26)34-7-9-6-32-15-12(14(29)27(15)13(9)16(30)31)21-11(28)5-10-8-33-17(19)20-10;/h8,12,15H,3-7H2,1-2H3,(H2,19,20)(H,21,28)(H,30,31);1H/t12-,15-;/m1./s1