7-[[(2E)-2-(2-azanyl-5-chloranyl-1,3-thiazol-4-yl)-2-hydroxyimino-ethanoyl]amino]-8-oxidanylidene-3-[3-[2-(pyrrolidin-2-ylcarbonylamino)ethylsulfanylmethyl]pyridin-4-yl]sulfanyl-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Systemtic Name: 7-[[(2E)-2-(2-azanyl-5-chloranyl-1,3-thiazol-4-yl)-2-hydroxyimino-ethanoyl]amino]-8-oxidanylidene-3-[3-[2-(pyrrolidin-2-ylcarbonylamino)ethylsulfanylmethyl]pyridin-4-yl]sulfanyl-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Openeye Name: 7-[[(2E)-2-(2-amino-5-chloro-thiazol-4-yl)-2-hydroxyimino-acetyl]amino]-8-oxo-3-[[3-[2-(pyrrolidine-2-carbonylamino)ethylsulfanylmethyl]-4-pyridyl]sulfanyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid CAS Name: 7-[[(2E)-2-(2-amino-5-chloro-4-thiazolyl)-2-hydroxyimino-1-oxoethyl]amino]-8-oxo-3-[[3-[[2-[[oxo(2-pyrrolidinyl)methyl]amino]ethylthio]methyl]-4-pyridinyl]thio]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid IUPAC Name: 7-[[(2E)-2-(2-amino-5-chloro-1,3-thiazol-4-yl)-2-hydroxyiminoacetyl]amino]-8-oxo-3-[3-[2-(pyrrolidine-2-carbonylamino)ethylsulfanylmethyl]pyridin-4-yl]sulfanyl-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Traditional Name: 7-[[(2E)-2-(2-amino-5-chloro-thiazol-4-yl)-2-hydroximino-acetyl]amino]-8-keto-3-[[3-[[2-(prolylamino)ethylthio]methyl]-4-pyridyl]thio]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C25H27ClN8O6S4 MolecularWeight: 699.24488

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(NC1)C(=O)NCCSCC2=C(C=CN=C2)SC3=C(N4C(C(C4=O)NC(=O)C(=NO)C5=C(SC(=N5)N)Cl)SC3)C(=O)O

Isomeric SMILES

C1CC(NC1)C(=O)NCCSCC2=C(C=CN=C2)SC3=C(N4C(C(C4=O)NC(=O)/C(=N/O)/C5=C(SC(=N5)N)Cl)SC3)C(=O)O

InChI

InChI=1S/C25H27ClN8O6S4/c26-19-15(32-25(27)44-19)16(33-40)21(36)31-17-22(37)34-18(24(38)39)14(10-42-23(17)34)43-13-3-5-28-8-11(13)9-41-7-6-30-20(35)12-2-1-4-29-12/h3,5,8,12,17,23,29,40H,1-2,4,6-7,9-10H2,(H2,27,32)(H,30,35)(H,31,36)(H,38,39)/b33-16+