7-[[2-[4-[(2-azanyl-3-oxidanyl-3-oxidanylidene-propoxy)carbonylamino]phenyl]-2-[[4-ethyl-2,3-bis(oxidanylidene)piperazin-1-yl]carbonylamino]ethanoyl]amino]-8-oxidanylidene-3-[[1-(sulfomethyl)-1,2,3,4-tetrazol-5-yl]sulfanylmethyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Systemtic Name: 7-[[2-[4-[(2-azanyl-3-oxidanyl-3-oxidanylidene-propoxy)carbonylamino]phenyl]-2-[[4-ethyl-2,3-bis(oxidanylidene)piperazin-1-yl]carbonylamino]ethanoyl]amino]-8-oxidanylidene-3-[[1-(sulfomethyl)-1,2,3,4-tetrazol-5-yl]sulfanylmethyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Openeye Name: 7-[[2-[4-[(2-amino-3-hydroxy-3-oxo-propoxy)carbonylamino]phenyl]-2-[(4-ethyl-2,3-dioxo-piperazine-1-carbonyl)amino]acetyl]amino]-8-oxo-3-[[1-(sulfomethyl)tetrazol-5-yl]sulfanylmethyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid CAS Name: 7-[[2-[4-[[(2-amino-3-hydroxy-3-oxopropoxy)-oxomethyl]amino]phenyl]-2-[[(4-ethyl-2,3-dioxo-1-piperazinyl)-oxomethyl]amino]-1-oxoethyl]amino]-8-oxo-3-[[[1-(sulfomethyl)-5-tetrazolyl]thio]methyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid IUPAC Name: 7-[[2-[4-[(2-amino-3-hydroxy-3-oxopropoxy)carbonylamino]phenyl]-2-[(4-ethyl-2,3-dioxopiperazine-1-carbonyl)amino]acetyl]amino]-8-oxo-3-[[1-(sulfomethyl)tetrazol-5-yl]sulfanylmethyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Traditional Name: 7-[[2-[4-[(2-amino-3-hydroxy-3-keto-propoxy)carbonylamino]phenyl]-2-[(4-ethyl-2,3-diketo-piperazine-1-carbonyl)amino]acetyl]amino]-8-keto-3-[[[1-(sulfomethyl)tetrazol-5-yl]thio]methyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C29H33N11O14S3 MolecularWeight: 855.83262

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(C(=O)C1=O)C(=O)NC(C2=CC=C(C=C2)NC(=O)OCC(C(=O)O)N)C(=O)NC3C4N(C3=O)C(=C(CS4)CSC5=NN=NN5CS(=O)(=O)O)C(=O)O

Isomeric SMILES

CCN1CCN(C(=O)C1=O)C(=O)NC(C2=CC=C(C=C2)NC(=O)OCC(C(=O)O)N)C(=O)NC3C4N(C3=O)C(=C(CS4)CSC5=NN=NN5CS(=O)(=O)O)C(=O)O

InChI

InChI=1S/C29H33N11O14S3/c1-2-37-7-8-38(23(44)22(37)43)27(49)33-17(13-3-5-15(6-4-13)31-29(50)54-9-16(30)25(45)46)20(41)32-18-21(42)40-19(26(47)48)14(10-55-24(18)40)11-56-28-34-35-36-39(28)12-57(51,52)53/h3-6,16-18,24H,2,7-12,30H2,1H3,(H,31,50)(H,32,41)(H,33,49)(H,45,46)(H,47,48)(H,51,52,53)