sodium 2-[11-(5-dodecylsulfanylpentanoylamino)undecanoylamino]pentanedioate

Systemtic Name: sodium 2-[11-(5-dodecylsulfanylpentanoylamino)undecanoylamino]pentanedioate Openeye Name: sodium 2-[11-(5-dodecylsulfanylpentanoylamino)undecanoylamino]pentanedioate CAS Name: sodium 2-[[11-[[5-(dodecylthio)-1-oxopentyl]amino]-1-oxoundecyl]amino]pentanedioate IUPAC Name: sodium 2-[11-(5-dodecylsulfanylpentanoylamino)undecanoylamino]pentanedioate Traditional Name: sodium 2-[11-[5-(laurylthio)pentanoylamino]undecanoylamino]glutarate Formula: C33H60N2NaO6S- MolecularWeight: 635.89407

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C33H62N2O6S.Na/c1-2-3-4-5-6-7-10-13-16-20-27-42-28-21-18-22-30(36)34-26-19-15-12-9-8-11-14-17-23-31(37)35-29(33(40)41)24-25-32(38)39;/h29H,2-28H2,1H3,(H,34,36)(H,35,37)(H,38,39)(H,40,41);/q;+1/p-2