(4-methoxyphenyl)methyl (6R,7R)-7-[(2-methylpropan-2-yl)oxycarbonylamino]-8-oxidanylidene-3-[(1E,3E)-4-[1-(triphenylmethyl)-1,2,3-triazol-4-yl]buta-1,3-dienyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

Systemtic Name: (4-methoxyphenyl)methyl (6R,7R)-7-[(2-methylpropan-2-yl)oxycarbonylamino]-8-oxidanylidene-3-[(1E,3E)-4-[1-(triphenylmethyl)-1,2,3-triazol-4-yl]buta-1,3-dienyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Openeye Name: (4-methoxyphenyl)methyl (6R,7R)-7-(tert-butoxycarbonylamino)-8-oxo-3-[(1E,3E)-4-(1-trityltriazol-4-yl)buta-1,3-dienyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate CAS Name: (6R,7R)-7-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-8-oxo-3-[(1E,3E)-4-[1-(triphenylmethyl)-4-triazolyl]buta-1,3-dienyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid (4-methoxyphenyl)methyl ester IUPAC Name: (4-methoxyphenyl)methyl (6R,7R)-7-[(2-methylpropan-2-yl)oxycarbonylamino]-8-oxo-3-[(1E,3E)-4-(1-trityltriazol-4-yl)buta-1,3-dienyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Traditional Name: (6R,7R)-7-(tert-butoxycarbonylamino)-8-keto-3-[(1E,3E)-4-(1-trityltriazol-4-yl)buta-1,3-dienyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid p-anisyl ester Formula: C45H43N5O6S MolecularWeight: 781.91782

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC1C2N(C1=O)C(=C(CS2)C=CC=CC3=CN(N=N3)C(C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6)C(=O)OCC7=CC=C(C=C7)OC

Isomeric SMILES

CC(C)(C)OC(=O)N[C@H]1[C@@H]2N(C1=O)C(=C(CS2)/C=C/C=C/C3=CN(N=N3)C(C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6)C(=O)OCC7=CC=C(C=C7)OC

InChI

InChI=1S/C45H43N5O6S/c1-44(2,3)56-43(53)46-38-40(51)50-39(42(52)55-29-31-24-26-37(54-4)27-25-31)32(30-57-41(38)50)16-14-15-23-36-28-49(48-47-36)45(33-17-8-5-9-18-33,34-19-10-6-11-20-34)35-21-12-7-13-22-35/h5-28,38,41H,29-30H2,1-4H3,(H,46,53)/b16-14+,23-15+/t38-,41-/m1/s1