(6R,7R)-7-[[2-(2-azanyl-1,3-thiazol-4-yl)-2-[[1,5-bis(oxidanyl)-4-oxidanylidene-pyridin-2-yl]carbonylamino]ethanoyl]amino]-3-(2,3-dihydro-1H-indol-5-ylsulfanylmethyl)-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Systemtic Name: (6R,7R)-7-[[2-(2-azanyl-1,3-thiazol-4-yl)-2-[[1,5-bis(oxidanyl)-4-oxidanylidene-pyridin-2-yl]carbonylamino]ethanoyl]amino]-3-(2,3-dihydro-1H-indol-5-ylsulfanylmethyl)-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Openeye Name: (6R,7R)-7-[[2-(2-aminothiazol-4-yl)-2-[(1,5-dihydroxy-4-oxo-pyridine-2-carbonyl)amino]acetyl]amino]-3-(indolin-5-ylsulfanylmethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid CAS Name: (6R,7R)-7-[[2-(2-amino-4-thiazolyl)-2-[[(1,5-dihydroxy-4-oxo-2-pyridinyl)-oxomethyl]amino]-1-oxoethyl]amino]-3-[(2,3-dihydro-1H-indol-5-ylthio)methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid IUPAC Name: (6R,7R)-7-[[2-(2-amino-1,3-thiazol-4-yl)-2-[(1,5-dihydroxy-4-oxopyridine-2-carbonyl)amino]acetyl]amino]-3-(2,3-dihydro-1H-indol-5-ylsulfanylmethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Traditional Name: (6R,7R)-7-[[2-(2-aminothiazol-4-yl)-2-[(1,5-dihydroxy-4-keto-picolinoyl)amino]acetyl]amino]-3-[(indolin-5-ylthio)methyl]-8-keto-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C27H25N7O8S3 MolecularWeight: 671.7245

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Descriptors Computed from Structure

Canonical SMILES:

C1CNC2=C1C=C(C=C2)SCC3=C(N4C(C(C4=O)NC(=O)C(C5=CSC(=N5)N)NC(=O)C6=CC(=O)C(=CN6O)O)SC3)C(=O)O

Isomeric SMILES

C1CNC2=C1C=C(C=C2)SCC3=C(N4[C@@H]([C@@H](C4=O)NC(=O)C(C5=CSC(=N5)N)NC(=O)C6=CC(=O)C(=CN6O)O)SC3)C(=O)O

InChI

InChI=1S/C27H25N7O8S3/c28-27-30-15(10-45-27)19(31-22(37)16-6-17(35)18(36)7-33(16)42)23(38)32-20-24(39)34-21(26(40)41)12(9-44-25(20)34)8-43-13-1-2-14-11(5-13)3-4-29-14/h1-2,5-7,10,19-20,25,29,36,42H,3-4,8-9H2,(H2,28,30)(H,31,37)(H,32,38)(H,40,41)/t19?,20-,25-/m1/s1