[3-[2-azanyl-3-[hexadecanoyl-[1-(2-methanoylpyrrolidin-1-yl)-3-oxidanyl-1-oxidanylidene-propan-2-yl]amino]-3-oxidanylidene-propyl]sulfanyl-2-hexadecanoyloxy-propyl] hexadecanoate

Systemtic Name: [3-[2-azanyl-3-[hexadecanoyl-[1-(2-methanoylpyrrolidin-1-yl)-3-oxidanyl-1-oxidanylidene-propan-2-yl]amino]-3-oxidanylidene-propyl]sulfanyl-2-hexadecanoyloxy-propyl] hexadecanoate Openeye Name: [3-[2-amino-3-[[2-(2-formylpyrrolidin-1-yl)-1-(hydroxymethyl)-2-oxo-ethyl]-hexadecanoyl-amino]-3-oxo-propyl]sulfanyl-2-hexadecanoyloxy-propyl] hexadecanoate CAS Name: hexadecanoic acid [3-[[2-amino-3-[[1-(2-formyl-1-pyrrolidinyl)-3-hydroxy-1-oxopropan-2-yl]-(1-oxohexadecyl)amino]-3-oxopropyl]thio]-2-(1-oxohexadecoxy)propyl] ester IUPAC Name: [3-[2-amino-3-[[1-(2-formylpyrrolidin-1-yl)-3-hydroxy-1-oxopropan-2-yl]-hexadecanoylamino]-3-oxopropyl]sulfanyl-2-hexadecanoyloxypropyl] hexadecanoate Traditional Name: palmitic acid [3-[[2-amino-3-[[2-(2-formylpyrrolidino)-2-keto-1-methylol-ethyl]-hexadecanoyl-amino]-3-keto-propyl]thio]-2-hexadecanoyloxy-propyl] ester Formula: C62H115N3O9S MolecularWeight: 1078.6562

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(=O)N(C(CO)C(=O)N1CCCC1C=O)C(=O)C(CSCC(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC)N

Isomeric SMILES

CCCCCCCCCCCCCCCC(=O)N(C(CO)C(=O)N1CCCC1C=O)C(=O)C(CSCC(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC)N

InChI

InChI=1S/C62H115N3O9S/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-45-58(68)65(57(50-67)62(72)64-48-43-44-54(64)49-66)61(71)56(63)53-75-52-55(74-60(70)47-42-39-36-33-30-27-24-21-18-15-12-9-6-3)51-73-59(69)46-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h49,54-57,67H,4-48,50-53,63H2,1-3H3