(6R,7R)-3-(acetyloxymethyl)-7-[[5-oxidanyl-4,5-bis(oxidanylidene)pentanoyl]amino]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Systemtic Name: (6R,7R)-3-(acetyloxymethyl)-7-[[5-oxidanyl-4,5-bis(oxidanylidene)pentanoyl]amino]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Openeye Name: (6R,7R)-3-(acetoxymethyl)-7-[(5-hydroxy-4,5-dioxo-pentanoyl)amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid CAS Name: (6R,7R)-3-(acetyloxymethyl)-7-[(5-hydroxy-1,4,5-trioxopentyl)amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid IUPAC Name: (6R,7R)-3-(acetyloxymethyl)-7-[(5-hydroxy-4,5-dioxopentanoyl)amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Traditional Name: (6R,7R)-3-(acetoxymethyl)-7-[(5-hydroxy-4,5-diketo-pentanoyl)amino]-8-keto-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C15H16N2O9S MolecularWeight: 400.36054

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCC1=C(N2C(C(C2=O)NC(=O)CCC(=O)C(=O)O)SC1)C(=O)O

Isomeric SMILES

CC(=O)OCC1=C(N2[C@@H]([C@@H](C2=O)NC(=O)CCC(=O)C(=O)O)SC1)C(=O)O

InChI

InChI=1S/C15H16N2O9S/c1-6(18)26-4-7-5-27-13-10(12(21)17(13)11(7)15(24)25)16-9(20)3-2-8(19)14(22)23/h10,13H,2-5H2,1H3,(H,16,20)(H,22,23)(H,24,25)/t10-,13-/m1/s1