sodium 2-[11-(7-dodecylsulfanylheptanoylamino)undecanoylamino]ethanoate

Systemtic Name: sodium 2-[11-(7-dodecylsulfanylheptanoylamino)undecanoylamino]ethanoate Openeye Name: sodium 2-[11-(7-dodecylsulfanylheptanoylamino)undecanoylamino]acetate CAS Name: sodium 2-[[11-[[7-(dodecylthio)-1-oxoheptyl]amino]-1-oxoundecyl]amino]acetate IUPAC Name: sodium 2-[11-(7-dodecylsulfanylheptanoylamino)undecanoylamino]acetate Traditional Name: sodium 2-[11-[7-(laurylthio)heptanoylamino]undecanoylamino]acetate Formula: C32H61N2NaO4S MolecularWeight: 592.89251

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCSCCCCCCC(=O)NCCCCCCCCCCC(=O)NCC(=O)[O-].[Na+]

Isomeric SMILES

CCCCCCCCCCCCSCCCCCCC(=O)NCCCCCCCCCCC(=O)NCC(=O)[O-].[Na+]

InChI

InChI=1S/C32H62N2O4S.Na/c1-2-3-4-5-6-7-10-13-17-22-27-39-28-23-18-15-20-24-30(35)33-26-21-16-12-9-8-11-14-19-25-31(36)34-29-32(37)38;/h2-29H2,1H3,(H,33,35)(H,34,36)(H,37,38);/q;+1/p-1