(6R,7R)-7-[[(2Z)-2-(2-azanyl-1,3-thiazol-4-yl)-2-(methoxymethoxyimino)ethanoyl]amino]-3-[[2,6-bis(azanyl)pyrimidin-4-yl]sulfanylmethyl]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Systemtic Name: (6R,7R)-7-[[(2Z)-2-(2-azanyl-1,3-thiazol-4-yl)-2-(methoxymethoxyimino)ethanoyl]amino]-3-[[2,6-bis(azanyl)pyrimidin-4-yl]sulfanylmethyl]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Openeye Name: (6R,7R)-7-[[(2Z)-2-(2-aminothiazol-4-yl)-2-(methoxymethoxyimino)acetyl]amino]-3-[(2,6-diaminopyrimidin-4-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid CAS Name: (6R,7R)-7-[[(2Z)-2-(2-amino-4-thiazolyl)-2-(methoxymethoxyimino)-1-oxoethyl]amino]-3-[[(2,6-diamino-4-pyrimidinyl)thio]methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid IUPAC Name: (6R,7R)-7-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(methoxymethoxyimino)acetyl]amino]-3-[(2,6-diaminopyrimidin-4-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Traditional Name: (6R,7R)-7-[[(2Z)-2-(2-aminothiazol-4-yl)-2-(methoxymethyloximino)acetyl]amino]-3-[[(2,6-diaminopyrimidin-4-yl)thio]methyl]-8-keto-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C19H21N9O6S3 MolecularWeight: 567.62174

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Descriptors Computed from Structure

Canonical SMILES:

COCON=C(C1=CSC(=N1)N)C(=O)NC2C3N(C2=O)C(=C(CS3)CSC4=NC(=NC(=C4)N)N)C(=O)O

Isomeric SMILES

COCO/N=C(/C1=CSC(=N1)N)\C(=O)N[C@H]2[C@@H]3N(C2=O)C(=C(CS3)CSC4=NC(=NC(=C4)N)N)C(=O)O

InChI

InChI=1S/C19H21N9O6S3/c1-33-6-34-27-11(8-5-37-19(22)23-8)14(29)26-12-15(30)28-13(17(31)32)7(4-36-16(12)28)3-35-10-2-9(20)24-18(21)25-10/h2,5,12,16H,3-4,6H2,1H3,(H2,22,23)(H,26,29)(H,31,32)(H4,20,21,24,25)/b27-11-/t12-,16-/m1/s1