7-[[(2E)-2-(2-azanyl-1,3-thiazol-4-yl)-2-(1-diazanyl-2-methyl-1-oxidanylidene-propan-2-yl)oxyimino-ethanoyl]amino]-3-[(3-carboxy-5-methyl-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-[(3-carboxy-5-methyl-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-[(3-carboxy-5-methyl-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-[[(3-carboxy-5-methyl-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-[(3-carboxy-5-methylpyrazolo[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]-3-[[(3-carboxy-5-methyl-pyrazolo[1,5-a]pyrimidin-7-yl)thio]methyl]-8-keto-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C25H26N10O8S3 MolecularWeight: 690.73114

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C=NN2C(=C1)SCC3=C(N4C(C(C4=O)NC(=O)C(=NOC(C)(C)C(=O)NN)C5=CSC(=N5)N)SC3)C(=O)O)C(=O)O

Isomeric SMILES

CC1=NC2=C(C=NN2C(=C1)SCC3=C(N4C(C(C4=O)NC(=O)/C(=N/OC(C)(C)C(=O)NN)/C5=CSC(=N5)N)SC3)C(=O)O)C(=O)O

InChI

InChI=1S/C25H26N10O8S3/c1-9-4-13(35-17(29-9)11(5-28-35)21(38)39)44-6-10-7-45-20-15(19(37)34(20)16(10)22(40)41)31-18(36)14(12-8-46-24(26)30-12)33-43-25(2,3)23(42)32-27/h4-5,8,15,20H,6-7,27H2,1-3H3,(H2,26,30)(H,31,36)(H,32,42)(H,38,39)(H,40,41)/b33-14+