2-[[2-(hexadecanoylamino)-6-(pentacosa-10,12-diynoylamino)hexanoyl]amino]ethanoic acid

Systemtic Name: 2-[[2-(hexadecanoylamino)-6-(pentacosa-10,12-diynoylamino)hexanoyl]amino]ethanoic acid Openeye Name: 2-[[2-(hexadecanoylamino)-6-(pentacosa-10,12-diynoylamino)hexanoyl]amino]acetic acid CAS Name: 2-[[1-oxo-2-(1-oxohexadecylamino)-6-(1-oxopentacosa-10,12-diynylamino)hexyl]amino]acetic acid IUPAC Name: 2-[[2-(hexadecanoylamino)-6-(pentacosa-10,12-diynoylamino)hexanoyl]amino]acetic acid Traditional Name: 2-[[2-palmitamido-6-(pentacosa-10,12-diynoylamino)hexanoyl]amino]acetic acid Formula: C49H87N3O5 MolecularWeight: 798.23218

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(=O)NC(CCCCNC(=O)CCCCCCCCC#CC#CCCCCCCCCCCCC)C(=O)NCC(=O)O

Isomeric SMILES

CCCCCCCCCCCCCCCC(=O)NC(CCCCNC(=O)CCCCCCCCC#CC#CCCCCCCCCCCCC)C(=O)NCC(=O)O

InChI

InChI=1S/C49H87N3O5/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-25-27-28-30-32-34-36-41-46(53)50-43-39-38-40-45(49(57)51-44-48(55)56)52-47(54)42-37-35-33-31-29-26-16-14-12-10-8-6-4-2/h45H,3-20,25-44H2,1-2H3,(H,50,53)(H,51,57)(H,52,54)(H,55,56)