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

Systemtic Name: S-[(2R,3R)-15-methyl-2-[[(3R)-15-methyl-3-oxidanyl-hexadecanoyl]amino]-3-oxidanyl-hexadecyl] ethanethioate Openeye Name: S-[(2R,3R)-3-hydroxy-2-[[(3R)-3-hydroxy-15-methyl-hexadecanoyl]amino]-15-methyl-hexadecyl] ethanethioate CAS Name: ethanethioic acid S-[(2R,3R)-3-hydroxy-2-[[(3R)-3-hydroxy-15-methyl-1-oxohexadecyl]amino]-15-methylhexadecyl] ester IUPAC Name: S-[(2R,3R)-3-hydroxy-2-[[(3R)-3-hydroxy-15-methylhexadecanoyl]amino]-15-methylhexadecyl] ethanethioate Traditional Name: ethanethioic acid S-[(2R,3R)-3-hydroxy-2-[[(3R)-3-hydroxy-15-methyl-hexadecanoyl]amino]-15-methyl-hexadecyl] ester Formula: C36H71NO4S MolecularWeight: 614.01824

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)O)O

Isomeric SMILES

CC(C)CCCCCCCCCCC[C@H](CC(=O)N[C@@H](CSC(=O)C)[C@@H](CCCCCCCCCCCC(C)C)O)O

InChI

InChI=1S/C36H71NO4S/c1-30(2)24-20-16-12-8-6-10-14-18-22-26-33(39)28-36(41)37-34(29-42-32(5)38)35(40)27-23-19-15-11-7-9-13-17-21-25-31(3)4/h30-31,33-35,39-40H,6-29H2,1-5H3,(H,37,41)/t33-,34+,35-/m1/s1