3-(aminocarbonyloxymethyl)-7-[2-[4-[(2-azanyl-3-oxidanyl-3-oxidanylidene-propoxy)carbonylamino]phenyl]ethanoylamino]-7-methoxy-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Systemtic Name: 3-(aminocarbonyloxymethyl)-7-[2-[4-[(2-azanyl-3-oxidanyl-3-oxidanylidene-propoxy)carbonylamino]phenyl]ethanoylamino]-7-methoxy-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Openeye Name: 7-[[2-[4-[(2-amino-3-hydroxy-3-oxo-propoxy)carbonylamino]phenyl]acetyl]amino]-3-(carbamoyloxymethyl)-7-methoxy-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid CAS Name: 7-[[2-[4-[[(2-amino-3-hydroxy-3-oxopropoxy)-oxomethyl]amino]phenyl]-1-oxoethyl]amino]-3-(carbamoyloxymethyl)-7-methoxy-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid IUPAC Name: 7-[[2-[4-[(2-amino-3-hydroxy-3-oxopropoxy)carbonylamino]phenyl]acetyl]amino]-3-(carbamoyloxymethyl)-7-methoxy-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Traditional Name: 7-[[2-[4-[(2-amino-3-hydroxy-3-keto-propoxy)carbonylamino]phenyl]acetyl]amino]-3-(carbamoyloxymethyl)-8-keto-7-methoxy-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C22H25N5O11S MolecularWeight: 567.5258

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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)CC3=CC=C(C=C3)NC(=O)OCC(C(=O)O)N

Isomeric SMILES

COC1(C2N(C1=O)C(=C(CS2)COC(=O)N)C(=O)O)NC(=O)CC3=CC=C(C=C3)NC(=O)OCC(C(=O)O)N

InChI

InChI=1S/C22H25N5O11S/c1-36-22(18(33)27-15(17(31)32)11(7-37-20(24)34)9-39-19(22)27)26-14(28)6-10-2-4-12(5-3-10)25-21(35)38-8-13(23)16(29)30/h2-5,13,19H,6-9,23H2,1H3,(H2,24,34)(H,25,35)(H,26,28)(H,29,30)(H,31,32)