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

Systemtic Name: (diphenylmethyl) (6R,7R)-3-[[2-methyl-4-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethylsulfanylmethyl]-1,3-thiazol-5-yl]sulfanyl]-7-[[(2Z)-2-[6-[(2-methylpropan-2-yl)oxycarbonylamino]pyridin-2-yl]-2-(triphenylmethyl)oxyimino-ethanoyl]amino]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Openeye Name: benzhydryl (6R,7R)-3-[4-[2-(tert-butoxycarbonylamino)ethylsulfanylmethyl]-2-methyl-thiazol-5-yl]sulfanyl-7-[[(2Z)-2-[6-(tert-butoxycarbonylamino)-2-pyridyl]-2-trityloxyimino-acetyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate CAS Name: (6R,7R)-3-[[2-methyl-4-[[2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]ethylthio]methyl]-5-thiazolyl]thio]-7-[[(2Z)-2-[6-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-2-pyridinyl]-1-oxo-2-(triphenylmethyl)oxyiminoethyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid (diphenylmethyl) ester IUPAC Name: benzhydryl (6R,7R)-3-[[2-methyl-4-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethylsulfanylmethyl]-1,3-thiazol-5-yl]sulfanyl]-7-[[(2Z)-2-[6-[(2-methylpropan-2-yl)oxycarbonylamino]pyridin-2-yl]-2-trityloxyiminoacetyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Traditional Name: (6R,7R)-3-[[4-[[2-(tert-butoxycarbonylamino)ethylthio]methyl]-2-methyl-thiazol-5-yl]thio]-7-[[(2Z)-2-[6-(tert-butoxycarbonylamino)-2-pyridyl]-2-trityloximino-acetyl]amino]-8-keto-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid benzhydryl ester Formula: C63H63N7O9S4 MolecularWeight: 1190.47582

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C(S1)SC2=C(N3C(C(C3=O)NC(=O)C(=NOC(C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6)C7=NC(=CC=C7)NC(=O)OC(C)(C)C)SC2)C(=O)OC(C8=CC=CC=C8)C9=CC=CC=C9)CSCCNC(=O)OC(C)(C)C

Isomeric SMILES

CC1=NC(=C(S1)SC2=C(N3[C@@H]([C@@H](C3=O)NC(=O)/C(=N\OC(C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6)/C7=NC(=CC=C7)NC(=O)OC(C)(C)C)SC2)C(=O)OC(C8=CC=CC=C8)C9=CC=CC=C9)CSCCNC(=O)OC(C)(C)C

InChI

InChI=1S/C63H63N7O9S4/c1-40-65-47(38-80-37-36-64-59(74)77-61(2,3)4)58(82-40)83-48-39-81-56-51(55(72)70(56)52(48)57(73)76-53(41-24-13-8-14-25-41)42-26-15-9-16-27-42)68-54(71)50(46-34-23-35-49(66-46)67-60(75)78-62(5,6)7)69-79-63(43-28-17-10-18-29-43,44-30-19-11-20-31-44)45-32-21-12-22-33-45/h8-35,51,53,56H,36-39H2,1-7H3,(H,64,74)(H,68,71)(H,66,67,75)/b69-50-/t51-,56-/m1/s1