(diphenylmethyl) (6R,7R)-7-[[(2Z)-2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-thiazol-4-yl]-2-(triphenylmethyl)oxyimino-ethanoyl]amino]-8-oxidanylidene-3-[(E)-2-(trifluoromethylsulfonyloxy)ethenyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

Systemtic Name: (diphenylmethyl) (6R,7R)-7-[[(2Z)-2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-thiazol-4-yl]-2-(triphenylmethyl)oxyimino-ethanoyl]amino]-8-oxidanylidene-3-[(E)-2-(trifluoromethylsulfonyloxy)ethenyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Openeye Name: benzhydryl (6R,7R)-7-[[(2Z)-2-[2-(tert-butoxycarbonylamino)thiazol-4-yl]-2-trityloxyimino-acetyl]amino]-8-oxo-3-[(E)-2-(trifluoromethylsulfonyloxy)vinyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate CAS Name: (6R,7R)-7-[[(2Z)-2-[2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-4-thiazolyl]-1-oxo-2-(triphenylmethyl)oxyiminoethyl]amino]-8-oxo-3-[(E)-2-(trifluoromethylsulfonyloxy)ethenyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid (diphenylmethyl) ester IUPAC Name: benzhydryl (6R,7R)-7-[[(2Z)-2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-thiazol-4-yl]-2-trityloxyiminoacetyl]amino]-8-oxo-3-[(E)-2-(trifluoromethylsulfonyloxy)ethenyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Traditional Name: (6R,7R)-7-[[(2Z)-2-[2-(tert-butoxycarbonylamino)thiazol-4-yl]-2-trityloximino-acetyl]amino]-8-keto-3-[(E)-2-triflyloxyvinyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid benzhydryl ester Formula: C52H44F3N5O10S3 MolecularWeight: 1052.12347

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC1=NC(=CS1)C(=NOC(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)C(=O)NC5C6N(C5=O)C(=C(CS6)C=COS(=O)(=O)C(F)(F)F)C(=O)OC(C7=CC=CC=C7)C8=CC=CC=C8

Isomeric SMILES

CC(C)(C)OC(=O)NC1=NC(=CS1)/C(=N/OC(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)/C(=O)N[C@H]5[C@@H]6N(C5=O)C(=C(CS6)/C=C/OS(=O)(=O)C(F)(F)F)C(=O)OC(C7=CC=CC=C7)C8=CC=CC=C8

InChI

InChI=1S/C52H44F3N5O10S3/c1-50(2,3)69-49(64)58-48-56-39(32-72-48)40(59-70-51(36-23-13-6-14-24-36,37-25-15-7-16-26-37)38-27-17-8-18-28-38)44(61)57-41-45(62)60-42(35(31-71-46(41)60)29-30-67-73(65,66)52(53,54)55)47(63)68-43(33-19-9-4-10-20-33)34-21-11-5-12-22-34/h4-30,32,41,43,46H,31H2,1-3H3,(H,57,61)(H,56,58,64)/b30-29+,59-40-/t41-,46-/m1/s1