sodium 2-[11-(31-dodecylsulfanylhentriacontanoylamino)undecanoylamino]pentanedioate

Systemtic Name: sodium 2-[11-(31-dodecylsulfanylhentriacontanoylamino)undecanoylamino]pentanedioate Openeye Name: sodium 2-[11-(31-dodecylsulfanylhentriacontanoylamino)undecanoylamino]pentanedioate CAS Name: sodium 2-[[11-[[31-(dodecylthio)-1-oxohentriacontyl]amino]-1-oxoundecyl]amino]pentanedioate IUPAC Name: sodium 2-[11-(31-dodecylsulfanylhentriacontanoylamino)undecanoylamino]pentanedioate Traditional Name: sodium 2-[11-[31-(laurylthio)hentriacontanoylamino]undecanoylamino]glutarate Formula: C59H112N2NaO6S- MolecularWeight: 1000.58515

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCSCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)NCCCCCCCCCCC(=O)NC(CCC(=O)[O-])C(=O)[O-].[Na+]

Isomeric SMILES

CCCCCCCCCCCCSCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)NCCCCCCCCCCC(=O)NC(CCC(=O)[O-])C(=O)[O-].[Na+]

InChI

InChI=1S/C59H114N2O6S.Na/c1-2-3-4-5-6-7-31-36-41-46-53-68-54-47-42-37-32-27-25-23-21-19-17-15-13-11-9-8-10-12-14-16-18-20-22-24-26-28-33-38-43-48-56(62)60-52-45-40-35-30-29-34-39-44-49-57(63)61-55(59(66)67)50-51-58(64)65;/h55H,2-54H2,1H3,(H,60,62)(H,61,63)(H,64,65)(H,66,67);/q;+1/p-2