2-[11-[21-dodecylsulfanylhenicosanoyl(ethyl)amino]undecanoylamino]pentanedioic acid

Systemtic Name: 2-[11-[21-dodecylsulfanylhenicosanoyl(ethyl)amino]undecanoylamino]pentanedioic acid Openeye Name: 2-[11-[21-dodecylsulfanylhenicosanoyl(ethyl)amino]undecanoylamino]pentanedioic acid CAS Name: 2-[[11-[[21-(dodecylthio)-1-oxoheneicosyl]-ethylamino]-1-oxoundecyl]amino]pentanedioic acid IUPAC Name: 2-[11-[21-dodecylsulfanylhenicosanoyl(ethyl)amino]undecanoylamino]pentanedioic acid Traditional Name: 2-[11-[ethyl-[21-(laurylthio)heneicosanoyl]amino]undecanoylamino]glutaric acid Formula: C51H98N2O6S MolecularWeight: 867.39862

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCSCCCCCCCCCCCCCCCCCCCCC(=O)N(CC)CCCCCCCCCCC(=O)NC(CCC(=O)O)C(=O)O

Isomeric SMILES

CCCCCCCCCCCCSCCCCCCCCCCCCCCCCCCCCC(=O)N(CC)CCCCCCCCCCC(=O)NC(CCC(=O)O)C(=O)O

InChI

InChI=1S/C51H98N2O6S/c1-3-5-6-7-8-9-23-28-33-38-45-60-46-39-34-29-24-19-17-15-13-11-10-12-14-16-18-20-26-31-36-41-49(55)53(4-2)44-37-32-27-22-21-25-30-35-40-48(54)52-47(51(58)59)42-43-50(56)57/h47H,3-46H2,1-2H3,(H,52,54)(H,56,57)(H,58,59)