O1-tert-butyl O5-(phenylmethyl) 2-[1-[(2-methylpropan-2-yl)oxy]-1-oxidanylidene-3,6-diphenyl-4-phenylmethoxycarbonyl-hexan-2-yl]sulfanyl-4-phenethyl-3-phenyl-pentanedioate

Systemtic Name: O1-tert-butyl O5-(phenylmethyl) 2-[1-[(2-methylpropan-2-yl)oxy]-1-oxidanylidene-3,6-diphenyl-4-phenylmethoxycarbonyl-hexan-2-yl]sulfanyl-4-phenethyl-3-phenyl-pentanedioate Openeye Name: O1-benzyl O5-tert-butyl 4-(3-benzyloxycarbonyl-1-tert-butoxycarbonyl-2,5-diphenyl-pentyl)sulfanyl-2-phenethyl-3-phenyl-pentanedioate CAS Name: 2-[[1-[(2-methylpropan-2-yl)oxy]-1-oxo-3,6-diphenyl-4-phenylmethoxycarbonylhexan-2-yl]thio]-4-phenethyl-3-phenylpentanedioic acid O1-tert-butyl ester O5-(phenylmethyl) ester IUPAC Name: 5-O-benzyl 1-O-tert-butyl 2-[1-[(2-methylpropan-2-yl)oxy]-1-oxo-3,6-diphenyl-4-phenylmethoxycarbonylhexan-2-yl]sulfanyl-4-phenethyl-3-phenylpentanedioate Traditional Name: 4-[(1-tert-butoxycarbonyl-3-carbobenzoxy-2,5-diphenyl-pentyl)thio]-2-phenethyl-3-phenyl-glutaric acid O1-benzyl ester O5-tert-butyl ester Formula: C60H66O8S MolecularWeight: 947.22624

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C(C(C1=CC=CC=C1)C(CCC2=CC=CC=C2)C(=O)OCC3=CC=CC=C3)SC(C(C4=CC=CC=C4)C(CCC5=CC=CC=C5)C(=O)OCC6=CC=CC=C6)C(=O)OC(C)(C)C

Isomeric SMILES

CC(C)(C)OC(=O)C(C(C1=CC=CC=C1)C(CCC2=CC=CC=C2)C(=O)OCC3=CC=CC=C3)SC(C(C4=CC=CC=C4)C(CCC5=CC=CC=C5)C(=O)OCC6=CC=CC=C6)C(=O)OC(C)(C)C

InChI

InChI=1S/C60H66O8S/c1-59(2,3)67-57(63)53(51(47-33-21-11-22-34-47)49(39-37-43-25-13-7-14-26-43)55(61)65-41-45-29-17-9-18-30-45)69-54(58(64)68-60(4,5)6)52(48-35-23-12-24-36-48)50(40-38-44-27-15-8-16-28-44)56(62)66-42-46-31-19-10-20-32-46/h7-36,49-54H,37-42H2,1-6H3