4-(3-azidopropyl)-6-(1-hydroxyethyl)-7-oxidanylidene-3-piperidin-4-ylsulfanyl-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid

Systemtic Name: 4-(3-azidopropyl)-6-(1-hydroxyethyl)-7-oxidanylidene-3-piperidin-4-ylsulfanyl-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid Openeye Name: 4-(3-azidopropyl)-6-(1-hydroxyethyl)-7-oxo-3-(4-piperidylsulfanyl)-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid CAS Name: 4-(3-azidopropyl)-6-(1-hydroxyethyl)-7-oxo-3-(4-piperidinylthio)-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid IUPAC Name: 4-(3-azidopropyl)-6-(1-hydroxyethyl)-7-oxo-3-piperidin-4-ylsulfanyl-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid Traditional Name: 4-(3-azidopropyl)-6-(1-hydroxyethyl)-7-keto-3-(4-piperidylthio)-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid Formula: C17H25N5O4S MolecularWeight: 395.4765

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1C2C(C(=C(N2C1=O)C(=O)O)SC3CCNCC3)CCCN=[N+]=[N-])O

Isomeric SMILES

CC(C1C2C(C(=C(N2C1=O)C(=O)O)SC3CCNCC3)CCCN=[N+]=[N-])O

InChI

InChI=1S/C17H25N5O4S/c1-9(23)12-13-11(3-2-6-20-21-18)15(27-10-4-7-19-8-5-10)14(17(25)26)22(13)16(12)24/h9-13,19,23H,2-8H2,1H3,(H,25,26)