S-[(2R,3R)-15-methyl-2-[[(3R)-15-methyl-3-phenylmethoxy-hexadecanoyl]amino]-3-phenylmethoxy-hexadecyl] ethanethioate

Systemtic Name: S-[(2R,3R)-15-methyl-2-[[(3R)-15-methyl-3-phenylmethoxy-hexadecanoyl]amino]-3-phenylmethoxy-hexadecyl] ethanethioate Openeye Name: S-[(2R,3R)-3-benzyloxy-2-[[(3R)-3-benzyloxy-15-methyl-hexadecanoyl]amino]-15-methyl-hexadecyl] ethanethioate CAS Name: ethanethioic acid S-[(2R,3R)-15-methyl-2-[[(3R)-15-methyl-1-oxo-3-phenylmethoxyhexadecyl]amino]-3-phenylmethoxyhexadecyl] ester IUPAC Name: S-[(2R,3R)-15-methyl-2-[[(3R)-15-methyl-3-phenylmethoxyhexadecanoyl]amino]-3-phenylmethoxyhexadecyl] ethanethioate Traditional Name: ethanethioic acid S-[(2R,3R)-3-benzoxy-2-[[(3R)-3-benzoxy-15-methyl-hexadecanoyl]amino]-15-methyl-hexadecyl] ester Formula: C50H83NO4S MolecularWeight: 794.26332

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCCCCCCCCCC(CC(=O)NC(CSC(=O)C)C(CCCCCCCCCCCC(C)C)OCC1=CC=CC=C1)OCC2=CC=CC=C2

Isomeric SMILES

CC(C)CCCCCCCCCCC[C@H](CC(=O)N[C@@H](CSC(=O)C)[C@@H](CCCCCCCCCCCC(C)C)OCC1=CC=CC=C1)OCC2=CC=CC=C2

InChI

InChI=1S/C50H83NO4S/c1-42(2)30-22-16-12-8-6-10-14-18-28-36-47(54-39-45-32-24-20-25-33-45)38-50(53)51-48(41-56-44(5)52)49(55-40-46-34-26-21-27-35-46)37-29-19-15-11-7-9-13-17-23-31-43(3)4/h20-21,24-27,32-35,42-43,47-49H,6-19,22-23,28-31,36-41H2,1-5H3,(H,51,53)/t47-,48+,49-/m1/s1