7-[[(2E)-2-(2-azanyl-1,3-thiazol-4-yl)-2-(carboxymethyloxyimino)ethanoyl]amino]-3-[[1-(carboxymethyl)pyridin-1-ium-4-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-(carboxymethyloxyimino)ethanoyl]amino]-3-[[1-(carboxymethyl)pyridin-1-ium-4-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-(carboxymethyloxyimino)acetyl]amino]-3-[[1-(carboxymethyl)pyridin-1-ium-4-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-(carboxymethyloxyimino)-1-oxoethyl]amino]-3-[[[1-(carboxymethyl)-4-pyridin-1-iumyl]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-(carboxymethyloxyimino)acetyl]amino]-3-[[1-(carboxymethyl)pyridin-1-ium-4-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-(carboxymethyloximino)acetyl]amino]-3-[[[1-(carboxymethyl)pyridin-1-ium-4-yl]thio]methyl]-8-keto-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C22H21N6O9S3+ MolecularWeight: 609.63194

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=C(N2C(S1)C(C2=O)NC(=O)C(=NOCC(=O)O)C3=CSC(=N3)N)C(=O)O)CSC4=CC=[N+](C=C4)CC(=O)O

Isomeric SMILES

C1C(=C(N2C(S1)C(C2=O)NC(=O)/C(=N/OCC(=O)O)/C3=CSC(=N3)N)C(=O)O)CSC4=CC=[N+](C=C4)CC(=O)O

InChI

InChI=1S/C22H20N6O9S3/c23-22-24-12(9-40-22)15(26-37-6-14(31)32)18(33)25-16-19(34)28-17(21(35)36)10(8-39-20(16)28)7-38-11-1-3-27(4-2-11)5-13(29)30/h1-4,9,16,20H,5-8H2,(H5-,23,24,25,29,30,31,32,33,35,36)/p+1/b26-15+