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

Systemtic Name: (diphenylmethyl) 7-[[2-(3,4-diacetyloxyphenyl)-2-[[4-ethyl-2,3-bis(oxidanylidene)piperazin-1-yl]carbonylamino]ethanoyl]amino]-7-formamido-3-[(1-methyl-1,2,3,4-tetrazol-5-yl)sulfanylmethyl]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Openeye Name: benzhydryl 7-[[2-(3,4-diacetoxyphenyl)-2-[(4-ethyl-2,3-dioxo-piperazine-1-carbonyl)amino]acetyl]amino]-7-formamido-3-[(1-methyltetrazol-5-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate CAS Name: 7-[[2-(3,4-diacetyloxyphenyl)-2-[[(4-ethyl-2,3-dioxo-1-piperazinyl)-oxomethyl]amino]-1-oxoethyl]amino]-7-formamido-3-[[(1-methyl-5-tetrazolyl)thio]methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid (diphenylmethyl) ester IUPAC Name: benzhydryl 7-[[2-(3,4-diacetyloxyphenyl)-2-[(4-ethyl-2,3-dioxopiperazine-1-carbonyl)amino]acetyl]amino]-7-formamido-3-[(1-methyltetrazol-5-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Traditional Name: 7-[[2-(3,4-diacetoxyphenyl)-2-[(4-ethyl-2,3-diketo-piperazine-1-carbonyl)amino]acetyl]amino]-7-formamido-8-keto-3-[[(1-methyltetrazol-5-yl)thio]methyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid benzhydryl ester Formula: C43H42N10O12S2 MolecularWeight: 954.98338

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(C(=O)C1=O)C(=O)NC(C2=CC(=C(C=C2)OC(=O)C)OC(=O)C)C(=O)NC3(C4N(C3=O)C(=C(CS4)CSC5=NN=NN5C)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(=C(C=C2)OC(=O)C)OC(=O)C)C(=O)NC3(C4N(C3=O)C(=C(CS4)CSC5=NN=NN5C)C(=O)OC(C6=CC=CC=C6)C7=CC=CC=C7)NC=O

InChI

InChI=1S/C43H42N10O12S2/c1-5-51-18-19-52(37(59)36(51)58)41(62)45-32(28-16-17-30(63-24(2)55)31(20-28)64-25(3)56)35(57)46-43(44-23-54)39(61)53-33(29(21-66-40(43)53)22-67-42-47-48-49-50(42)4)38(60)65-34(26-12-8-6-9-13-26)27-14-10-7-11-15-27/h6-17,20,23,32,34,40H,5,18-19,21-22H2,1-4H3,(H,44,54)(H,45,62)(H,46,57)