(diphenylmethyl) 7-[[2-[[4-ethyl-2,3-bis(oxidanylidene)piperazin-1-yl]carbonylamino]-2-[4-[(4-nitrophenyl)methoxycarbonylamino]phenyl]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-[[4-ethyl-2,3-bis(oxidanylidene)piperazin-1-yl]carbonylamino]-2-[4-[(4-nitrophenyl)methoxycarbonylamino]phenyl]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-[(4-ethyl-2,3-dioxo-piperazine-1-carbonyl)amino]-2-[4-[(4-nitrophenyl)methoxycarbonylamino]phenyl]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-[[(4-ethyl-2,3-dioxo-1-piperazinyl)-oxomethyl]amino]-2-[4-[[(4-nitrophenyl)methoxy-oxomethyl]amino]phenyl]-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-[(4-ethyl-2,3-dioxopiperazine-1-carbonyl)amino]-2-[4-[(4-nitrophenyl)methoxycarbonylamino]phenyl]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-[(4-ethyl-2,3-diketo-piperazine-1-carbonyl)amino]-2-[4-[(4-nitrobenzyl)oxycarbonylamino]phenyl]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: C47H42N10O12S3 MolecularWeight: 1035.09118

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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)OCC3=CC=C(C=C3)[N+](=O)[O-])C(=O)NC4(C5N(C4=O)C(=C(CS5)CSC6=NN=CS6)C(=O)OC(C7=CC=CC=C7)C8=CC=CC=C8)NC=O

Isomeric SMILES

CCN1CCN(C(=O)C1=O)C(=O)NC(C2=CC=C(C=C2)NC(=O)OCC3=CC=C(C=C3)[N+](=O)[O-])C(=O)NC4(C5N(C4=O)C(=C(CS5)CSC6=NN=CS6)C(=O)OC(C7=CC=CC=C7)C8=CC=CC=C8)NC=O

InChI

InChI=1S/C47H42N10O12S3/c1-2-54-21-22-55(40(61)39(54)60)44(64)51-35(29-15-17-33(18-16-29)50-45(65)68-23-28-13-19-34(20-14-28)57(66)67)38(59)52-47(48-26-58)42(63)56-36(32(24-70-43(47)56)25-71-46-53-49-27-72-46)41(62)69-37(30-9-5-3-6-10-30)31-11-7-4-8-12-31/h3-20,26-27,35,37,43H,2,21-25H2,1H3,(H,48,58)(H,50,65)(H,51,64)(H,52,59)