7-[[(2E)-2-(2-azanyl-1,3-thiazol-4-yl)-2-(1-diazanyl-2-methyl-1-oxidanylidene-propan-2-yl)oxyimino-ethanoyl]amino]-3-[[5-(hydroxymethyl)pyrazolo[1,5-a]pyrimidin-7-yl]sulfanylmethyl]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Systemtic Name: 7-[[(2E)-2-(2-azanyl-1,3-thiazol-4-yl)-2-(1-diazanyl-2-methyl-1-oxidanylidene-propan-2-yl)oxyimino-ethanoyl]amino]-3-[[5-(hydroxymethyl)pyrazolo[1,5-a]pyrimidin-7-yl]sulfanylmethyl]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Openeye Name: 7-[[(2E)-2-(2-aminothiazol-4-yl)-2-(2-hydrazino-1,1-dimethyl-2-oxo-ethoxy)imino-acetyl]amino]-3-[[5-(hydroxymethyl)pyrazolo[1,5-a]pyrimidin-7-yl]sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid CAS Name: 7-[[(2E)-2-(2-amino-4-thiazolyl)-2-(1-hydrazinyl-2-methyl-1-oxopropan-2-yl)oxyimino-1-oxoethyl]amino]-3-[[[5-(hydroxymethyl)-7-pyrazolo[1,5-a]pyrimidinyl]thio]methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid IUPAC Name: 7-[[(2E)-2-(2-amino-1,3-thiazol-4-yl)-2-(1-hydrazinyl-2-methyl-1-oxopropan-2-yl)oxyiminoacetyl]amino]-3-[[5-(hydroxymethyl)pyrazolo[1,5-a]pyrimidin-7-yl]sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Traditional Name: 7-[[(2E)-2-(2-aminothiazol-4-yl)-2-(2-hydrazino-2-keto-1,1-dimethyl-ethyl)oximino-acetyl]amino]-8-keto-3-[[(5-methylolpyrazolo[1,5-a]pyrimidin-7-yl)thio]methyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C24H26N10O7S3 MolecularWeight: 662.72104

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(=O)NN)ON=C(C1=CSC(=N1)N)C(=O)NC2C3N(C2=O)C(=C(CS3)CSC4=CC(=NC5=CC=NN54)CO)C(=O)O

Isomeric SMILES

CC(C)(C(=O)NN)O/N=C(\C1=CSC(=N1)N)/C(=O)NC2C3N(C2=O)C(=C(CS3)CSC4=CC(=NC5=CC=NN54)CO)C(=O)O

InChI

InChI=1S/C24H26N10O7S3/c1-24(2,22(40)31-26)41-32-15(12-9-44-23(25)29-12)18(36)30-16-19(37)33-17(21(38)39)10(8-43-20(16)33)7-42-14-5-11(6-35)28-13-3-4-27-34(13)14/h3-5,9,16,20,35H,6-8,26H2,1-2H3,(H2,25,29)(H,30,36)(H,31,40)(H,38,39)/b32-15+