(diphenylmethyl) 7-[[2-(3-acetyloxyphenyl)-2-[[4-ethyl-2,3-bis(oxidanylidene)piperazin-1-yl]carbonylamino]ethanoyl]amino]-7-formamido-8-oxidanylidene-3-(1,3,4-thiadiazol-2-ylsulfanylmethyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

Systemtic Name: (diphenylmethyl) 7-[[2-(3-acetyloxyphenyl)-2-[[4-ethyl-2,3-bis(oxidanylidene)piperazin-1-yl]carbonylamino]ethanoyl]amino]-7-formamido-8-oxidanylidene-3-(1,3,4-thiadiazol-2-ylsulfanylmethyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Openeye Name: benzhydryl 7-[[2-(3-acetoxyphenyl)-2-[(4-ethyl-2,3-dioxo-piperazine-1-carbonyl)amino]acetyl]amino]-7-formamido-8-oxo-3-(1,3,4-thiadiazol-2-ylsulfanylmethyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate CAS Name: 7-[[2-(3-acetyloxyphenyl)-2-[[(4-ethyl-2,3-dioxo-1-piperazinyl)-oxomethyl]amino]-1-oxoethyl]amino]-7-formamido-8-oxo-3-[(1,3,4-thiadiazol-2-ylthio)methyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid (diphenylmethyl) ester IUPAC Name: benzhydryl 7-[[2-(3-acetyloxyphenyl)-2-[(4-ethyl-2,3-dioxopiperazine-1-carbonyl)amino]acetyl]amino]-7-formamido-8-oxo-3-(1,3,4-thiadiazol-2-ylsulfanylmethyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Traditional Name: 7-[[2-(3-acetoxyphenyl)-2-[(4-ethyl-2,3-diketo-piperazine-1-carbonyl)amino]acetyl]amino]-7-formamido-8-keto-3-[(1,3,4-thiadiazol-2-ylthio)methyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid benzhydryl ester Formula: C41H38N8O10S3 MolecularWeight: 898.98302

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(C(=O)C1=O)C(=O)NC(C2=CC(=CC=C2)OC(=O)C)C(=O)NC3(C4N(C3=O)C(=C(CS4)CSC5=NN=CS5)C(=O)OC(C6=CC=CC=C6)C7=CC=CC=C7)NC=O

Isomeric SMILES

CCN1CCN(C(=O)C1=O)C(=O)NC(C2=CC(=CC=C2)OC(=O)C)C(=O)NC3(C4N(C3=O)C(=C(CS4)CSC5=NN=CS5)C(=O)OC(C6=CC=CC=C6)C7=CC=CC=C7)NC=O

InChI

InChI=1S/C41H38N8O10S3/c1-3-47-17-18-48(35(54)34(47)53)39(57)44-30(27-15-10-16-29(19-27)58-24(2)51)33(52)45-41(42-22-50)37(56)49-31(28(20-60-38(41)49)21-61-40-46-43-23-62-40)36(55)59-32(25-11-6-4-7-12-25)26-13-8-5-9-14-26/h4-16,19,22-23,30,32,38H,3,17-18,20-21H2,1-2H3,(H,42,50)(H,44,57)(H,45,52)