sodium 2-[11-(15-dodecylsulfanylpentadecanoylamino)undecanoylamino]pentanedioate

Systemtic Name: sodium 2-[11-(15-dodecylsulfanylpentadecanoylamino)undecanoylamino]pentanedioate Openeye Name: sodium 2-[11-(15-dodecylsulfanylpentadecanoylamino)undecanoylamino]pentanedioate CAS Name: sodium 2-[[11-[[15-(dodecylthio)-1-oxopentadecyl]amino]-1-oxoundecyl]amino]pentanedioate IUPAC Name: sodium 2-[11-(15-dodecylsulfanylpentadecanoylamino)undecanoylamino]pentanedioate Traditional Name: sodium 2-[11-[15-(laurylthio)pentadecanoylamino]undecanoylamino]glutarate Formula: C43H80N2NaO6S- MolecularWeight: 776.15987

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C43H82N2O6S.Na/c1-2-3-4-5-6-7-15-20-25-30-37-52-38-31-26-21-16-11-9-8-10-12-17-22-27-32-40(46)44-36-29-24-19-14-13-18-23-28-33-41(47)45-39(43(50)51)34-35-42(48)49;/h39H,2-38H2,1H3,(H,44,46)(H,45,47)(H,48,49)(H,50,51);/q;+1/p-2