[(2S)-1-[[4-[(Z)-C-[[(6R,7R)-2-(2,2-dimethylpropanoyloxymethoxycarbonyl)-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-en-7-yl]carbamoyl]-N-methoxy-carbonimidoyl]-1,3-thiazol-2-yl]amino]-1-oxidanylidene-propan-2-yl]azanium chloride

Systemtic Name: [(2S)-1-[[4-[(Z)-C-[[(6R,7R)-2-(2,2-dimethylpropanoyloxymethoxycarbonyl)-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-en-7-yl]carbamoyl]-N-methoxy-carbonimidoyl]-1,3-thiazol-2-yl]amino]-1-oxidanylidene-propan-2-yl]azanium chloride Openeye Name: [(1S)-2-[[4-[(Z)-C-[[(6R,7R)-2-(2,2-dimethylpropanoyloxymethoxycarbonyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-7-yl]carbamoyl]-N-methoxy-carbonimidoyl]thiazol-2-yl]amino]-1-methyl-2-oxo-ethyl]ammonium chloride CAS Name: [(2S)-1-[[4-[(1Z)-2-[[(6R,7R)-2-[(2,2-dimethyl-1-oxopropoxy)methoxy-oxomethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-7-yl]amino]-1-methoxyimino-2-oxoethyl]-2-thiazolyl]amino]-1-oxopropan-2-yl]ammonium chloride IUPAC Name: [(2S)-1-[[4-[(Z)-C-[[(6R,7R)-2-(2,2-dimethylpropanoyloxymethoxycarbonyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-7-yl]carbamoyl]-N-methoxycarbonimidoyl]-1,3-thiazol-2-yl]amino]-1-oxopropan-2-yl]azanium chloride Traditional Name: [(1S)-2-keto-2-[[4-[(Z)-C-[[(6R,7R)-8-keto-2-(pivaloyloxymethoxycarbonyl)-5-thia-1-azabicyclo[4.2.0]oct-2-en-7-yl]carbamoyl]-N-methoxy-carbonimidoyl]thiazol-2-yl]amino]-1-methyl-ethyl]ammonium chloride Formula: C22H29ClN6O8S2 MolecularWeight: 605.08406

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=NC(=CS1)C(=NOC)C(=O)NC2C3N(C2=O)C(=CCS3)C(=O)OCOC(=O)C(C)(C)C)[NH3+].[Cl-]

Isomeric SMILES

C[C@@H](C(=O)NC1=NC(=CS1)/C(=N/OC)/C(=O)N[C@H]2[C@@H]3N(C2=O)C(=CCS3)C(=O)OCOC(=O)C(C)(C)C)[NH3+].[Cl-]

InChI

InChI=1S/C22H28N6O8S2.ClH/c1-10(23)15(29)26-21-24-11(8-38-21)13(27-34-5)16(30)25-14-17(31)28-12(6-7-37-18(14)28)19(32)35-9-36-20(33)22(2,3)4;/h6,8,10,14,18H,7,9,23H2,1-5H3,(H,25,30)(H,24,26,29);1H/b27-13-;/t10-,14+,18+;/m0./s1