(6R,7R)-3-(acetyloxymethyl)-7-[[(2E)-2-(2-azanyl-1,3-thiazol-4-yl)-2-methoxyimino-ethanoyl]amino]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid; 1-(5-methyl-5-oxidanyl-hexyl)-3,7-dihydropurine-2,6-dione

Systemtic Name: (6R,7R)-3-(acetyloxymethyl)-7-[[(2E)-2-(2-azanyl-1,3-thiazol-4-yl)-2-methoxyimino-ethanoyl]amino]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid; 1-(5-methyl-5-oxidanyl-hexyl)-3,7-dihydropurine-2,6-dione Openeye Name: (6R,7R)-3-(acetoxymethyl)-7-[[(2E)-2-(2-aminothiazol-4-yl)-2-methoxyimino-acetyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid; 1-(5-hydroxy-5-methyl-hexyl)-3,7-dihydropurine-2,6-dione CAS Name: (6R,7R)-3-(acetyloxymethyl)-7-[[(2E)-2-(2-amino-4-thiazolyl)-2-methoxyimino-1-oxoethyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid; 1-(5-hydroxy-5-methylhexyl)-3,7-dihydropurine-2,6-dione IUPAC Name: (6R,7R)-3-(acetyloxymethyl)-7-[[(2E)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid; 1-(5-hydroxy-5-methylhexyl)-3,7-dihydropurine-2,6-dione Traditional Name: (6R,7R)-3-(acetoxymethyl)-7-[[(2E)-2-(2-aminothiazol-4-yl)-2-methyloximino-acetyl]amino]-8-keto-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid; 1-(5-hydroxy-5-methyl-hexyl)-7H-xanthine Formula: C28H35N9O10S2 MolecularWeight: 721.7618

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCC1=C(N2C(C(C2=O)NC(=O)C(=NOC)C3=CSC(=N3)N)SC1)C(=O)O.CC(C)(CCCCN1C(=O)C2=C(NC1=O)N=CN2)O

Isomeric SMILES

CC(=O)OCC1=C(N2[C@@H]([C@@H](C2=O)NC(=O)/C(=N/OC)/C3=CSC(=N3)N)SC1)C(=O)O.CC(C)(CCCCN1C(=O)C2=C(NC1=O)N=CN2)O

InChI

InChI=1S/C16H17N5O7S2.C12H18N4O3/c1-6(22)28-3-7-4-29-14-10(13(24)21(14)11(7)15(25)26)19-12(23)9(20-27-2)8-5-30-16(17)18-8;1-12(2,19)5-3-4-6-16-10(17)8-9(14-7-13-8)15-11(16)18/h5,10,14H,3-4H2,1-2H3,(H2,17,18)(H,19,23)(H,25,26);7,19H,3-6H2,1-2H3,(H,13,14)(H,15,18)/b20-9+;/t10-,14-;/m1./s1