(6R,7S)-3-(aminocarbonyloxymethyl)-7-[[(5R)-5-azaniumyl-6-oxidanidyl-6-oxidanylidene-hexanoyl]amino]-7-methoxy-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

Systemtic Name: (6R,7S)-3-(aminocarbonyloxymethyl)-7-[[(5R)-5-azaniumyl-6-oxidanidyl-6-oxidanylidene-hexanoyl]amino]-7-methoxy-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Openeye Name: (6R,7S)-7-[[(5R)-5-azaniumyl-6-oxido-6-oxo-hexanoyl]amino]-3-(carbamoyloxymethyl)-7-methoxy-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate CAS Name: (6R,7S)-7-[[(5R)-5-ammonio-6-oxido-1,6-dioxohexyl]amino]-3-(carbamoyloxymethyl)-7-methoxy-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate IUPAC Name: (6R,7S)-7-[[(5R)-5-azaniumyl-6-oxido-6-oxohexanoyl]amino]-3-(carbamoyloxymethyl)-7-methoxy-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Traditional Name: (6R,7S)-7-[[(5R)-5-ammonio-6-keto-6-oxido-hexanoyl]amino]-3-(carbamoyloxymethyl)-8-keto-7-methoxy-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Formula: C16H21N4O9S- MolecularWeight: 445.42434

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Descriptors Computed from Structure

Canonical SMILES:

COC1(C2N(C1=O)C(=C(CS2)COC(=O)N)C(=O)[O-])NC(=O)CCCC(C(=O)[O-])[NH3+]

Isomeric SMILES

CO[C@@]1([C@@H]2N(C1=O)C(=C(CS2)COC(=O)N)C(=O)[O-])NC(=O)CCC[C@H](C(=O)[O-])[NH3+]

InChI

InChI=1S/C16H22N4O9S/c1-28-16(19-9(21)4-2-3-8(17)11(22)23)13(26)20-10(12(24)25)7(5-29-15(18)27)6-30-14(16)20/h8,14H,2-6,17H2,1H3,(H2,18,27)(H,19,21)(H,22,23)(H,24,25)/p-1/t8-,14-,16+/m1/s1