[7-azanyl-8-azanylidene-3-hexadecanoyloxy-3-[(2-methylpropan-2-yl)oxycarbonyl]-1-oxidanyl-4-oxidanylidene-8-phenylmethoxy-octan-2-yl] hexadecanoate

Systemtic Name: [7-azanyl-8-azanylidene-3-hexadecanoyloxy-3-[(2-methylpropan-2-yl)oxycarbonyl]-1-oxidanyl-4-oxidanylidene-8-phenylmethoxy-octan-2-yl] hexadecanoate Openeye Name: [6-amino-7-benzyloxy-2-tert-butoxycarbonyl-2-hexadecanoyloxy-1-(hydroxymethyl)-7-imino-3-oxo-heptyl] hexadecanoate CAS Name: hexadecanoic acid [7-amino-1-hydroxy-8-imino-3-[(2-methylpropan-2-yl)oxy-oxomethyl]-4-oxo-3-(1-oxohexadecoxy)-8-phenylmethoxyoctan-2-yl] ester IUPAC Name: [7-amino-3-hexadecanoyloxy-1-hydroxy-8-imino-3-[(2-methylpropan-2-yl)oxycarbonyl]-4-oxo-8-phenylmethoxyoctan-2-yl] hexadecanoate Traditional Name: palmitic acid (6-amino-7-benzoxy-2-tert-butoxycarbonyl-2-hexadecanoyloxy-7-imino-3-keto-1-methylol-heptyl) ester Formula: C52H90N2O9 MolecularWeight: 887.279

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(=O)OC(CO)C(C(=O)CCC(C(=N)OCC1=CC=CC=C1)N)(C(=O)OC(C)(C)C)OC(=O)CCCCCCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCC(=O)OC(CO)C(C(=O)CCC(C(=N)OCC1=CC=CC=C1)N)(C(=O)OC(C)(C)C)OC(=O)CCCCCCCCCCCCCCC

InChI

InChI=1S/C52H90N2O9/c1-6-8-10-12-14-16-18-20-22-24-26-28-33-37-47(57)61-46(41-55)52(50(59)63-51(3,4)5,45(56)40-39-44(53)49(54)60-42-43-35-31-30-32-36-43)62-48(58)38-34-29-27-25-23-21-19-17-15-13-11-9-7-2/h30-32,35-36,44,46,54-55H,6-29,33-34,37-42,53H2,1-5H3