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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)OCOC(=O)C1=CCSC2N1C(=O)C2NC(=O)C(=NOC)C3=CSC(=N3)NC(=O)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)CC(C)C)[NH3+].[Cl-]

InChI

InChI=1S/C22H28N6O8S2.ClH/c1-10(2)7-14(29)35-9-36-21(33)13-5-6-37-20-16(19(32)28(13)20)25-18(31)15(27-34-4)12-8-38-22(24-12)26-17(30)11(3)23;/h5,8,10-11,16,20H,6-7,9,23H2,1-4H3,(H,25,31)(H,24,26,30);1H/b27-15-;/t11-,16+,20+;/m0./s1