7-[(5-azido-6-oxidanyl-6-oxidanylidene-hexanoyl)amino]-7-methoxy-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2,3-dicarboxylic acid

Systemtic Name: 7-[(5-azido-6-oxidanyl-6-oxidanylidene-hexanoyl)amino]-7-methoxy-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2,3-dicarboxylic acid Openeye Name: 7-[(5-azido-6-hydroxy-6-oxo-hexanoyl)amino]-7-methoxy-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2,3-dicarboxylic acid CAS Name: 7-[(5-azido-6-hydroxy-1,6-dioxohexyl)amino]-7-methoxy-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2,3-dicarboxylic acid IUPAC Name: 7-[(5-azido-6-hydroxy-6-oxohexanoyl)amino]-7-methoxy-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2,3-dicarboxylic acid Traditional Name: 7-[(5-azido-6-hydroxy-6-keto-hexanoyl)amino]-8-keto-7-methoxy-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2,3-dicarboxylic acid Formula: C15H17N5O9S MolecularWeight: 443.38858

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Descriptors Computed from Structure

Canonical SMILES:

COC1(C2N(C1=O)C(=C(CS2)C(=O)O)C(=O)O)NC(=O)CCCC(C(=O)O)N=[N+]=[N-]

Isomeric SMILES

COC1(C2N(C1=O)C(=C(CS2)C(=O)O)C(=O)O)NC(=O)CCCC(C(=O)O)N=[N+]=[N-]

InChI

InChI=1S/C15H17N5O9S/c1-29-15(17-8(21)4-2-3-7(11(24)25)18-19-16)13(28)20-9(12(26)27)6(10(22)23)5-30-14(15)20/h7,14H,2-5H2,1H3,(H,17,21)(H,22,23)(H,24,25)(H,26,27)