2-[11-[11-dodecylsulfanylundecanoyl(ethyl)amino]undecanoylamino]ethanoic acid

Systemtic Name: 2-[11-[11-dodecylsulfanylundecanoyl(ethyl)amino]undecanoylamino]ethanoic acid Openeye Name: 2-[11-[11-dodecylsulfanylundecanoyl(ethyl)amino]undecanoylamino]acetic acid CAS Name: 2-[[11-[[11-(dodecylthio)-1-oxoundecyl]-ethylamino]-1-oxoundecyl]amino]acetic acid IUPAC Name: 2-[11-[11-dodecylsulfanylundecanoyl(ethyl)amino]undecanoylamino]acetic acid Traditional Name: 2-[11-[ethyl-[11-(laurylthio)undecanoyl]amino]undecanoylamino]acetic acid Formula: C38H74N2O4S MolecularWeight: 655.07016

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCSCCCCCCCCCCC(=O)N(CC)CCCCCCCCCCC(=O)NCC(=O)O

Isomeric SMILES

CCCCCCCCCCCCSCCCCCCCCCCC(=O)N(CC)CCCCCCCCCCC(=O)NCC(=O)O

InChI

InChI=1S/C38H74N2O4S/c1-3-5-6-7-8-9-13-18-23-28-33-45-34-29-24-19-14-11-16-21-26-31-37(42)40(4-2)32-27-22-17-12-10-15-20-25-30-36(41)39-35-38(43)44/h3-35H2,1-2H3,(H,39,41)(H,43,44)