(diphenylmethyl) 3-[acetyloxy-[[2-[[2,3-bis(oxidanylidene)-4-(phenylmethyl)piperazin-1-yl]carbonylamino]-2-phenyl-ethanoyl]amino]methyl]-7-(oxidanylamino)-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

Systemtic Name: (diphenylmethyl) 3-[acetyloxy-[[2-[[2,3-bis(oxidanylidene)-4-(phenylmethyl)piperazin-1-yl]carbonylamino]-2-phenyl-ethanoyl]amino]methyl]-7-(oxidanylamino)-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Openeye Name: benzhydryl 3-[acetoxy-[[2-[(4-benzyl-2,3-dioxo-piperazine-1-carbonyl)amino]-2-phenyl-acetyl]amino]methyl]-7-(hydroxyamino)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate CAS Name: 3-[acetyloxy-[[2-[[[2,3-dioxo-4-(phenylmethyl)-1-piperazinyl]-oxomethyl]amino]-1-oxo-2-phenylethyl]amino]methyl]-7-(hydroxyamino)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid (diphenylmethyl) ester IUPAC Name: benzhydryl 3-[acetyloxy-[[2-[(4-benzyl-2,3-dioxopiperazine-1-carbonyl)amino]-2-phenylacetyl]amino]methyl]-7-(hydroxyamino)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Traditional Name: 3-[acetoxy-[[2-[(4-benzyl-2,3-diketo-piperazine-1-carbonyl)amino]-2-phenyl-acetyl]amino]methyl]-7-(hydroxyamino)-8-keto-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid benzhydryl ester Formula: C43H40N6O10S MolecularWeight: 832.8769

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC(C1=C(N2C(C(C2=O)NO)SC1)C(=O)OC(C3=CC=CC=C3)C4=CC=CC=C4)NC(=O)C(C5=CC=CC=C5)NC(=O)N6CCN(C(=O)C6=O)CC7=CC=CC=C7

Isomeric SMILES

CC(=O)OC(C1=C(N2C(C(C2=O)NO)SC1)C(=O)OC(C3=CC=CC=C3)C4=CC=CC=C4)NC(=O)C(C5=CC=CC=C5)NC(=O)N6CCN(C(=O)C6=O)CC7=CC=CC=C7

InChI

InChI=1S/C43H40N6O10S/c1-26(50)58-37(31-25-60-41-33(46-57)38(52)49(41)34(31)42(55)59-35(29-18-10-4-11-19-29)30-20-12-5-13-21-30)45-36(51)32(28-16-8-3-9-17-28)44-43(56)48-23-22-47(39(53)40(48)54)24-27-14-6-2-7-15-27/h2-21,32-33,35,37,41,46,57H,22-25H2,1H3,(H,44,56)(H,45,51)