(6R,7R)-7-[[(2E)-2-(2-azanyl-1,3-thiazol-4-yl)-2-[1-[1,5-bis(oxidanyl)-4-oxidanylidene-pyridin-2-yl]ethoxyimino]ethanoyl]amino]-3-[[1-(2-dimethylaminoethyl)-1,2,3,4-tetrazol-5-yl]sulfanylmethyl]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Systemtic Name: (6R,7R)-7-[[(2E)-2-(2-azanyl-1,3-thiazol-4-yl)-2-[1-[1,5-bis(oxidanyl)-4-oxidanylidene-pyridin-2-yl]ethoxyimino]ethanoyl]amino]-3-[[1-(2-dimethylaminoethyl)-1,2,3,4-tetrazol-5-yl]sulfanylmethyl]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Openeye Name: (6R,7R)-7-[[(2E)-2-(2-aminothiazol-4-yl)-2-[1-(1,5-dihydroxy-4-oxo-2-pyridyl)ethoxyimino]acetyl]amino]-3-[[1-(2-dimethylaminoethyl)tetrazol-5-yl]sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid CAS Name: (6R,7R)-7-[[(2E)-2-(2-amino-4-thiazolyl)-2-[1-(1,5-dihydroxy-4-oxo-2-pyridinyl)ethoxyimino]-1-oxoethyl]amino]-3-[[[1-(2-dimethylaminoethyl)-5-tetrazolyl]thio]methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid IUPAC Name: (6R,7R)-7-[[(2E)-2-(2-amino-1,3-thiazol-4-yl)-2-[1-(1,5-dihydroxy-4-oxopyridin-2-yl)ethoxyimino]acetyl]amino]-3-[[1-(2-dimethylaminoethyl)tetrazol-5-yl]sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Traditional Name: (6R,7R)-7-[[(2E)-2-(2-aminothiazol-4-yl)-2-[1-(1,5-dihydroxy-4-keto-2-pyridyl)ethyloximino]acetyl]amino]-3-[[[1-(2-dimethylaminoethyl)tetrazol-5-yl]thio]methyl]-8-keto-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(C1=CC(=O)C(=CN1O)O)ON=C(C2=CSC(=N2)N)C(=O)NC3C4N(C3=O)C(=C(CS4)CSC5=NN=NN5CCN(C)C)C(=O)O

Isomeric SMILES

CC(C1=CC(=O)C(=CN1O)O)O/N=C(\C2=CSC(=N2)N)/C(=O)N[C@H]3[C@@H]4N(C3=O)C(=C(CS4)CSC5=NN=NN5CCN(C)C)C(=O)O

InChI

InChI=1S/C25H29N11O8S3/c1-11(14-6-15(37)16(38)7-35(14)43)44-30-17(13-10-46-24(26)27-13)20(39)28-18-21(40)36-19(23(41)42)12(8-45-22(18)36)9-47-25-29-31-32-34(25)5-4-33(2)3/h6-7,10-11,18,22,38,43H,4-5,8-9H2,1-3H3,(H2,26,27)(H,28,39)(H,41,42)/b30-17+/t11?,18-,22-/m1/s1