7-[[(2E)-2-(2-azanyl-1,3-thiazol-4-yl)-2-(1-diazanyl-2-methyl-1-oxidanylidene-propan-2-yl)oxyimino-ethanoyl]amino]-3-[[7-(hydroxymethyl)-2-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-5-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-[[7-(hydroxymethyl)-2-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-5-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-[[7-(hydroxymethyl)-2-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-5-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-[[[7-(hydroxymethyl)-2-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl]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-[[7-(hydroxymethyl)-2-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-5-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-[[[2-(methoxymethyl)-7-methylol-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl]thio]methyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C25H29N11O8S3 MolecularWeight: 707.76166

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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=NC5=NC(=NN5C(=C4)CO)COC)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=NC5=NC(=NN5C(=C4)CO)COC)C(=O)O

InChI

InChI=1S/C25H29N11O8S3/c1-25(2,22(42)32-27)44-34-15(12-9-47-23(26)28-12)18(38)31-16-19(39)35-17(21(40)41)10(8-46-20(16)35)7-45-14-4-11(5-37)36-24(30-14)29-13(33-36)6-43-3/h4,9,16,20,37H,5-8,27H2,1-3H3,(H2,26,28)(H,31,38)(H,32,42)(H,40,41)/b34-15+