(6S)-7-[[2,2-bis(fluoranyl)-2-methylsulfanyl-ethanoyl]-fluoranyl-amino]-3-[4-(dibutylamino)-4-oxidanylidene-1-(2H-1,2,3,4-tetrazol-5-ylsulfanyl)butyl]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Systemtic Name: (6S)-7-[[2,2-bis(fluoranyl)-2-methylsulfanyl-ethanoyl]-fluoranyl-amino]-3-[4-(dibutylamino)-4-oxidanylidene-1-(2H-1,2,3,4-tetrazol-5-ylsulfanyl)butyl]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Openeye Name: (6S)-3-[4-(dibutylamino)-4-oxo-1-(2H-tetrazol-5-ylsulfanyl)butyl]-7-[(2,2-difluoro-2-methylsulfanyl-acetyl)-fluoro-amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid CAS Name: (6S)-3-[4-(dibutylamino)-4-oxo-1-(2H-tetrazol-5-ylthio)butyl]-7-[[2,2-difluoro-2-(methylthio)-1-oxoethyl]-fluoroamino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid IUPAC Name: (6S)-3-[4-(dibutylamino)-4-oxo-1-(2H-tetrazol-5-ylsulfanyl)butyl]-7-[(2,2-difluoro-2-methylsulfanylacetyl)-fluoroamino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Traditional Name: (6S)-3-[4-(dibutylamino)-4-keto-1-(2H-tetrazol-5-ylthio)butyl]-7-[[2,2-difluoro-2-(methylthio)acetyl]-fluoro-amino]-8-keto-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C23H32F3N7O5S3 MolecularWeight: 639.73429

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(CCCC)C(=O)CCC(C1=C(N2C(C(C2=O)N(C(=O)C(F)(F)SC)F)SC1)C(=O)O)SC3=NNN=N3

Isomeric SMILES

CCCCN(CCCC)C(=O)CCC(C1=C(N2[C@H](C(C2=O)N(C(=O)C(F)(F)SC)F)SC1)C(=O)O)SC3=NNN=N3

InChI

InChI=1S/C23H32F3N7O5S3/c1-4-6-10-31(11-7-5-2)15(34)9-8-14(41-22-27-29-30-28-22)13-12-40-19-17(18(35)32(19)16(13)20(36)37)33(26)21(38)23(24,25)39-3/h14,17,19H,4-12H2,1-3H3,(H,36,37)(H,27,28,29,30)/t14?,17?,19-/m0/s1