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

Systemtic Name: (6R,7R)-3-(azidomethyl)-8-oxidanylidene-7-[(5-oxidanyl-5-oxidanylidene-pentanoyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Openeye Name: (6R,7R)-3-(azidomethyl)-7-[(5-hydroxy-5-oxo-pentanoyl)amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid CAS Name: (6R,7R)-3-(azidomethyl)-7-[(5-hydroxy-1,5-dioxopentyl)amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid IUPAC Name: (6R,7R)-3-(azidomethyl)-7-[(5-hydroxy-5-oxopentanoyl)amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Traditional Name: (6R,7R)-3-(azidomethyl)-7-[(5-hydroxy-5-keto-pentanoyl)amino]-8-keto-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C13H15N5O6S MolecularWeight: 369.3531

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=C(N2C(S1)C(C2=O)NC(=O)CCCC(=O)O)C(=O)O)CN=[N+]=[N-]

Isomeric SMILES

C1C(=C(N2[C@H](S1)[C@@H](C2=O)NC(=O)CCCC(=O)O)C(=O)O)CN=[N+]=[N-]

InChI

InChI=1S/C13H15N5O6S/c14-17-15-4-6-5-25-12-9(11(22)18(12)10(6)13(23)24)16-7(19)2-1-3-8(20)21/h9,12H,1-5H2,(H,16,19)(H,20,21)(H,23,24)/t9-,12-/m1/s1