7-[[2-[3-[[2-(2-azanyl-3-oxidanyl-3-oxidanylidene-propoxy)-2-oxidanylidene-ethyl]amino]phenyl]-2-[[4-ethyl-2,3-bis(oxidanylidene)piperazin-1-yl]carbonylamino]ethanoyl]amino]-3-[(1-methyl-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: 7-[[2-[3-[[2-(2-azanyl-3-oxidanyl-3-oxidanylidene-propoxy)-2-oxidanylidene-ethyl]amino]phenyl]-2-[[4-ethyl-2,3-bis(oxidanylidene)piperazin-1-yl]carbonylamino]ethanoyl]amino]-3-[(1-methyl-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: 7-[[2-[3-[[2-(2-amino-3-hydroxy-3-oxo-propoxy)-2-oxo-ethyl]amino]phenyl]-2-[(4-ethyl-2,3-dioxo-piperazine-1-carbonyl)amino]acetyl]amino]-3-[(1-methyltetrazol-5-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid CAS Name: 7-[[2-[3-[[2-(2-amino-3-hydroxy-3-oxopropoxy)-2-oxoethyl]amino]phenyl]-2-[[(4-ethyl-2,3-dioxo-1-piperazinyl)-oxomethyl]amino]-1-oxoethyl]amino]-3-[[(1-methyl-5-tetrazolyl)thio]methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid IUPAC Name: 7-[[2-[3-[[2-(2-amino-3-hydroxy-3-oxopropoxy)-2-oxoethyl]amino]phenyl]-2-[(4-ethyl-2,3-dioxopiperazine-1-carbonyl)amino]acetyl]amino]-3-[(1-methyltetrazol-5-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Traditional Name: 7-[[2-[3-[[2-(2-amino-3-hydroxy-3-keto-propoxy)-2-keto-ethyl]amino]phenyl]-2-[(4-ethyl-2,3-diketo-piperazine-1-carbonyl)amino]acetyl]amino]-8-keto-3-[[(1-methyltetrazol-5-yl)thio]methyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C30H35N11O11S2 MolecularWeight: 789.796

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(C(=O)C1=O)C(=O)NC(C2=CC(=CC=C2)NCC(=O)OCC(C(=O)O)N)C(=O)NC3C4N(C3=O)C(=C(CS4)CSC5=NN=NN5C)C(=O)O

Isomeric SMILES

CCN1CCN(C(=O)C1=O)C(=O)NC(C2=CC(=CC=C2)NCC(=O)OCC(C(=O)O)N)C(=O)NC3C4N(C3=O)C(=C(CS4)CSC5=NN=NN5C)C(=O)O

InChI

InChI=1S/C30H35N11O11S2/c1-3-39-7-8-40(25(46)24(39)45)29(51)34-19(14-5-4-6-16(9-14)32-10-18(42)52-11-17(31)27(47)48)22(43)33-20-23(44)41-21(28(49)50)15(12-53-26(20)41)13-54-30-35-36-37-38(30)2/h4-6,9,17,19-20,26,32H,3,7-8,10-13,31H2,1-2H3,(H,33,43)(H,34,51)(H,47,48)(H,49,50)