2-[11-(15-dodecylsulfanylpentadecanoylamino)undecanoylamino]pentanedioic acid

Systemtic Name: 2-[11-(15-dodecylsulfanylpentadecanoylamino)undecanoylamino]pentanedioic acid Openeye Name: 2-[11-(15-dodecylsulfanylpentadecanoylamino)undecanoylamino]pentanedioic acid CAS Name: 2-[[11-[[15-(dodecylthio)-1-oxopentadecyl]amino]-1-oxoundecyl]amino]pentanedioic acid IUPAC Name: 2-[11-(15-dodecylsulfanylpentadecanoylamino)undecanoylamino]pentanedioic acid Traditional Name: 2-[11-[15-(laurylthio)pentadecanoylamino]undecanoylamino]glutaric acid Formula: C43H82N2O6S MolecularWeight: 755.18598

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCSCCCCCCCCCCCCCCC(=O)NCCCCCCCCCCC(=O)NC(CCC(=O)O)C(=O)O

Isomeric SMILES

CCCCCCCCCCCCSCCCCCCCCCCCCCCC(=O)NCCCCCCCCCCC(=O)NC(CCC(=O)O)C(=O)O

InChI

InChI=1S/C43H82N2O6S/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)