tert-butyl N-[(5R,10R)-10-[(2-methylpropan-2-yl)oxycarbonylamino]-4,11-bis(oxidanylidene)-3,12-dioxabicyclo[12.3.1]octadeca-1(18),14,16-trien-7-yn-5-yl]carbamate

Systemtic Name: tert-butyl N-[(5R,10R)-10-[(2-methylpropan-2-yl)oxycarbonylamino]-4,11-bis(oxidanylidene)-3,12-dioxabicyclo[12.3.1]octadeca-1(18),14,16-trien-7-yn-5-yl]carbamate Openeye Name: tert-butyl N-[(5R,10R)-10-(tert-butoxycarbonylamino)-4,11-dioxo-3,12-dioxabicyclo[12.3.1]octadeca-1(18),14,16-trien-7-yn-5-yl]carbamate CAS Name: N-[(5R,10R)-10-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-4,11-dioxo-3,12-dioxabicyclo[12.3.1]octadeca-1(18),14,16-trien-7-yn-5-yl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[(5R,10R)-10-[(2-methylpropan-2-yl)oxycarbonylamino]-4,11-dioxo-3,12-dioxabicyclo[12.3.1]octadeca-1(18),14,16-trien-7-yn-5-yl]carbamate Traditional Name: N-[(5R,10R)-10-(tert-butoxycarbonylamino)-4,11-diketo-3,12-dioxabicyclo[12.3.1]octadeca-1(18),14,16-trien-7-yn-5-yl]carbamic acid tert-butyl ester Formula: C26H34N2O8 MolecularWeight: 502.55676

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC1CC#CCC(C(=O)OCC2=CC=CC(=C2)COC1=O)NC(=O)OC(C)(C)C

Isomeric SMILES

CC(C)(C)OC(=O)N[C@@H]1CC#CC[C@H](C(=O)OCC2=CC=CC(=C2)COC1=O)NC(=O)OC(C)(C)C

InChI

InChI=1S/C26H34N2O8/c1-25(2,3)35-23(31)27-19-12-7-8-13-20(28-24(32)36-26(4,5)6)22(30)34-16-18-11-9-10-17(14-18)15-33-21(19)29/h9-11,14,19-20H,12-13,15-16H2,1-6H3,(H,27,31)(H,28,32)/t19-,20-/m1/s1