3-(acetyloxymethyl)-5-azanyl-5-oxidanylidene-pentanoic acid; (6S)-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Systemtic Name: 3-(acetyloxymethyl)-5-azanyl-5-oxidanylidene-pentanoic acid; (6S)-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Openeye Name: 3-(acetoxymethyl)-5-amino-5-oxo-pentanoic acid; (6S)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid CAS Name: 3-(acetyloxymethyl)-5-amino-5-oxopentanoic acid; (6S)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid IUPAC Name: 3-(acetyloxymethyl)-5-amino-5-oxopentanoic acid; (6S)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Traditional Name: 3-(acetoxymethyl)-5-amino-5-keto-valeric acid; (6S)-8-keto-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C15H20N2O8S MolecularWeight: 388.3929

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCC(CC(=O)N)CC(=O)O.C1C=C(N2C(S1)CC2=O)C(=O)O

Isomeric SMILES

CC(=O)OCC(CC(=O)N)CC(=O)O.C1C=C(N2[C@@H](S1)CC2=O)C(=O)O

InChI

InChI=1S/C8H13NO5.C7H7NO3S/c1-5(10)14-4-6(2-7(9)11)3-8(12)13;9-5-3-6-8(5)4(7(10)11)1-2-12-6/h6H,2-4H2,1H3,(H2,9,11)(H,12,13);1,6H,2-3H2,(H,10,11)/t;6-/m.0/s1