3-methyl-7-oxidanylidene-6-(2-phenylethanoylamino)-3-(piperidin-1-ylsulfanylcarbonylsulfanylmethyl)-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid

Systemtic Name: 3-methyl-7-oxidanylidene-6-(2-phenylethanoylamino)-3-(piperidin-1-ylsulfanylcarbonylsulfanylmethyl)-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid Openeye Name: 3-methyl-7-oxo-6-[(2-phenylacetyl)amino]-3-(1-piperidylsulfanylcarbonylsulfanylmethyl)-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid CAS Name: 3-methyl-7-oxo-6-[(1-oxo-2-phenylethyl)amino]-3-[[[oxo-(1-piperidinylthio)methyl]thio]methyl]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid IUPAC Name: 3-methyl-7-oxo-6-[(2-phenylacetyl)amino]-3-(piperidin-1-ylsulfanylcarbonylsulfanylmethyl)-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid Traditional Name: 7-keto-3-methyl-6-[(2-phenylacetyl)amino]-3-[[(piperidinothio)carbonylthio]methyl]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid Formula: C22H27N3O5S3 MolecularWeight: 509.66188

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(N2C(S1)C(C2=O)NC(=O)CC3=CC=CC=C3)C(=O)O)CSC(=O)SN4CCCCC4

Isomeric SMILES

CC1(C(N2C(S1)C(C2=O)NC(=O)CC3=CC=CC=C3)C(=O)O)CSC(=O)SN4CCCCC4

InChI

InChI=1S/C22H27N3O5S3/c1-22(13-31-21(30)33-24-10-6-3-7-11-24)17(20(28)29)25-18(27)16(19(25)32-22)23-15(26)12-14-8-4-2-5-9-14/h2,4-5,8-9,16-17,19H,3,6-7,10-13H2,1H3,(H,23,26)(H,28,29)