tert-butyl (E,5S,6R)-13-[tert-butyl(diphenyl)silyl]oxy-5-methyl-2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]-3,9-bis(oxidanylidene)-6-phenylmethoxy-tridec-7-enoate

Systemtic Name: tert-butyl (E,5S,6R)-13-[tert-butyl(diphenyl)silyl]oxy-5-methyl-2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]-3,9-bis(oxidanylidene)-6-phenylmethoxy-tridec-7-enoate Openeye Name: tert-butyl (E,5S,6R)-6-benzyloxy-2-[3-(tert-butoxycarbonylamino)propyl]-13-[tert-butyl(diphenyl)silyl]oxy-5-methyl-3,9-dioxo-tridec-7-enoate CAS Name: (E,5S,6R)-13-[tert-butyl(diphenyl)silyl]oxy-5-methyl-2-[3-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]propyl]-3,9-dioxo-6-phenylmethoxy-7-tridecenoic acid tert-butyl ester IUPAC Name: tert-butyl (E,5S,6R)-13-[tert-butyl(diphenyl)silyl]oxy-5-methyl-2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]-3,9-dioxo-6-phenylmethoxytridec-7-enoate Traditional Name: (E,5S,6R)-6-benzoxy-2-[3-(tert-butoxycarbonylamino)propyl]-13-[tert-butyl(diphenyl)silyl]oxy-3,9-diketo-5-methyl-tridec-7-enoic acid tert-butyl ester Formula: C49H69NO8Si MolecularWeight: 828.15956

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(CC(=O)C(CCCNC(=O)OC(C)(C)C)C(=O)OC(C)(C)C)C(C=CC(=O)CCCCO[Si](C1=CC=CC=C1)(C2=CC=CC=C2)C(C)(C)C)OCC3=CC=CC=C3

Isomeric SMILES

C[C@@H](CC(=O)C(CCCNC(=O)OC(C)(C)C)C(=O)OC(C)(C)C)[C@H](/C=C/C(=O)CCCCO[Si](C1=CC=CC=C1)(C2=CC=CC=C2)C(C)(C)C)OCC3=CC=CC=C3

InChI

InChI=1S/C49H69NO8Si/c1-37(35-43(52)42(45(53)57-47(2,3)4)30-22-33-50-46(54)58-48(5,6)7)44(55-36-38-23-14-11-15-24-38)32-31-39(51)25-20-21-34-56-59(49(8,9)10,40-26-16-12-17-27-40)41-28-18-13-19-29-41/h11-19,23-24,26-29,31-32,37,42,44H,20-22,25,30,33-36H2,1-10H3,(H,50,54)/b32-31+/t37-,42?,44-/m0/s1