3-[[16-[2,3-di(hexadecanoyloxy)propoxy]-16-oxidanylidene-hexadecyl]amino]propanoic acid

Systemtic Name: 3-[[16-[2,3-di(hexadecanoyloxy)propoxy]-16-oxidanylidene-hexadecyl]amino]propanoic acid Openeye Name: 3-[[16-[2,3-di(hexadecanoyloxy)propoxy]-16-oxo-hexadecyl]amino]propanoic acid CAS Name: 3-[[16-[2,3-bis(1-oxohexadecoxy)propoxy]-16-oxohexadecyl]amino]propanoic acid IUPAC Name: 3-[[16-[2,3-di(hexadecanoyloxy)propoxy]-16-oxohexadecyl]amino]propanoic acid Traditional Name: 3-[[16-[2,3-di(hexadecanoyloxy)propoxy]-16-keto-hexadecyl]amino]propionic acid Formula: C54H103NO8 MolecularWeight: 894.39752

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCNCCC(=O)O)OC(=O)CCCCCCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCNCCC(=O)O)OC(=O)CCCCCCCCCCCCCCC

InChI

InChI=1S/C54H103NO8/c1-3-5-7-9-11-13-15-18-22-26-30-34-38-42-52(58)61-48-50(63-54(60)44-40-36-32-28-24-19-16-14-12-10-8-6-4-2)49-62-53(59)43-39-35-31-27-23-20-17-21-25-29-33-37-41-46-55-47-45-51(56)57/h50,55H,3-49H2,1-2H3,(H,56,57)