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

Systemtic Name: sodium 2-[11-(15-dodecylsulfanylpentadecanoylamino)undecanoylamino]ethanoate Openeye Name: sodium 2-[11-(15-dodecylsulfanylpentadecanoylamino)undecanoylamino]acetate CAS Name: sodium 2-[[11-[[15-(dodecylthio)-1-oxopentadecyl]amino]-1-oxoundecyl]amino]acetate IUPAC Name: sodium 2-[11-(15-dodecylsulfanylpentadecanoylamino)undecanoylamino]acetate Traditional Name: sodium 2-[11-[15-(laurylthio)pentadecanoylamino]undecanoylamino]acetate Formula: C40H77N2NaO4S MolecularWeight: 705.10515

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C40H78N2O4S.Na/c1-2-3-4-5-6-7-15-20-25-30-35-47-36-31-26-21-16-11-9-8-10-12-17-22-27-32-38(43)41-34-29-24-19-14-13-18-23-28-33-39(44)42-37-40(45)46;/h2-37H2,1H3,(H,41,43)(H,42,44)(H,45,46);/q;+1/p-1