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

Systemtic Name: 4-(3-azanylpropyl)-6-(1-hydroxyethyl)-7-oxidanylidene-3-piperidin-4-ylsulfanyl-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid Openeye Name: 4-(3-aminopropyl)-6-(1-hydroxyethyl)-7-oxo-3-(4-piperidylsulfanyl)-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid CAS Name: 4-(3-aminopropyl)-6-(1-hydroxyethyl)-7-oxo-3-(4-piperidinylthio)-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid IUPAC Name: 4-(3-aminopropyl)-6-(1-hydroxyethyl)-7-oxo-3-piperidin-4-ylsulfanyl-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid Traditional Name: 4-(3-aminopropyl)-6-(1-hydroxyethyl)-7-keto-3-(4-piperidylthio)-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid Formula: C17H27N3O4S MolecularWeight: 369.47898

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1C2C(C(=C(N2C1=O)C(=O)O)SC3CCNCC3)CCCN)O

Isomeric SMILES

CC(C1C2C(C(=C(N2C1=O)C(=O)O)SC3CCNCC3)CCCN)O

InChI

InChI=1S/C17H27N3O4S/c1-9(21)12-13-11(3-2-6-18)15(25-10-4-7-19-8-5-10)14(17(23)24)20(13)16(12)22/h9-13,19,21H,2-8,18H2,1H3,(H,23,24)