sodium 2-[11-[7-dodecylsulfanylheptanoyl(ethyl)amino]undecanoylamino]pentanedioate

Systemtic Name: sodium 2-[11-[7-dodecylsulfanylheptanoyl(ethyl)amino]undecanoylamino]pentanedioate Openeye Name: sodium 2-[11-[7-dodecylsulfanylheptanoyl(ethyl)amino]undecanoylamino]pentanedioate CAS Name: sodium 2-[[11-[[7-(dodecylthio)-1-oxoheptyl]-ethylamino]-1-oxoundecyl]amino]pentanedioate IUPAC Name: sodium 2-[11-[7-dodecylsulfanylheptanoyl(ethyl)amino]undecanoylamino]pentanedioate Traditional Name: sodium 2-[11-[ethyl-[7-(laurylthio)heptanoyl]amino]undecanoylamino]glutarate Formula: C37H68N2NaO6S- MolecularWeight: 692.00039

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C37H70N2O6S.Na/c1-3-5-6-7-8-9-12-15-19-24-31-46-32-25-20-17-22-27-35(41)39(4-2)30-23-18-14-11-10-13-16-21-26-34(40)38-33(37(44)45)28-29-36(42)43;/h33H,3-32H2,1-2H3,(H,38,40)(H,42,43)(H,44,45);/q;+1/p-2