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]-3-[[1-[1-(dimethylamino)ethyl]-1,2,3,4-tetrazol-5-yl]sulfanylmethyl]-7-methoxy-8-oxidanylidene-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]-3-[[1-[1-(dimethylamino)ethyl]-1,2,3,4-tetrazol-5-yl]sulfanylmethyl]-7-methoxy-8-oxidanylidene-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]-3-[[1-[1-(dimethylamino)ethyl]tetrazol-5-yl]sulfanylmethyl]-7-methoxy-8-oxo-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]-3-[[[1-[1-(dimethylamino)ethyl]-5-tetrazolyl]thio]methyl]-7-methoxy-8-oxo-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]-3-[[1-[1-(dimethylamino)ethyl]tetrazol-5-yl]sulfanylmethyl]-7-methoxy-8-oxo-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]-3-[[[1-[1-(dimethylamino)ethyl]tetrazol-5-yl]thio]methyl]-8-keto-7-methoxy-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C33H42N12O12S2 MolecularWeight: 862.88978

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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)NC3(C4N(C3=O)C(=C(CS4)CSC5=NN=NN5C(C)N(C)C)C(=O)O)OC

Isomeric SMILES

CCN1CCN(C(=O)C1=O)C(=O)NC(C2=CC=C(C=C2)NC(=O)OCC(C(=O)O)N)C(=O)NC3(C4N(C3=O)C(=C(CS4)CSC5=NN=NN5C(C)N(C)C)C(=O)O)OC

InChI

InChI=1S/C33H42N12O12S2/c1-6-42-11-12-43(25(48)24(42)47)30(54)36-21(17-7-9-19(10-8-17)35-32(55)57-13-20(34)26(49)50)23(46)37-33(56-5)28(53)44-22(27(51)52)18(14-58-29(33)44)15-59-31-38-39-40-45(31)16(2)41(3)4/h7-10,16,20-21,29H,6,11-15,34H2,1-5H3,(H,35,55)(H,36,54)(H,37,46)(H,49,50)(H,51,52)