sodium 2-[11-[35-dodecylsulfanylpentatriacontanoyl(ethyl)amino]undecanoylamino]pentanedioate

Systemtic Name: sodium 2-[11-[35-dodecylsulfanylpentatriacontanoyl(ethyl)amino]undecanoylamino]pentanedioate Openeye Name: sodium 2-[11-[35-dodecylsulfanylpentatriacontanoyl(ethyl)amino]undecanoylamino]pentanedioate CAS Name: sodium 2-[[11-[[35-(dodecylthio)-1-oxopentatriacontyl]-ethylamino]-1-oxoundecyl]amino]pentanedioate IUPAC Name: sodium 2-[11-[35-dodecylsulfanylpentatriacontanoyl(ethyl)amino]undecanoylamino]pentanedioate Traditional Name: sodium 2-[11-[ethyl-[35-(laurylthio)pentatriacontanoyl]amino]undecanoylamino]glutarate Formula: C65H124N2NaO6S- MolecularWeight: 1084.74463

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCSCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)N(CC)CCCCCCCCCCC(=O)NC(CCC(=O)[O-])C(=O)[O-].[Na+]

Isomeric SMILES

CCCCCCCCCCCCSCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)N(CC)CCCCCCCCCCC(=O)NC(CCC(=O)[O-])C(=O)[O-].[Na+]

InChI

InChI=1S/C65H126N2O6S.Na/c1-3-5-6-7-8-9-37-42-47-52-59-74-60-53-48-43-38-33-31-29-27-25-23-21-19-17-15-13-11-10-12-14-16-18-20-22-24-26-28-30-32-34-40-45-50-55-63(69)67(4-2)58-51-46-41-36-35-39-44-49-54-62(68)66-61(65(72)73)56-57-64(70)71;/h61H,3-60H2,1-2H3,(H,66,68)(H,70,71)(H,72,73);/q;+1/p-2