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

Systemtic Name: 2-[11-(15-dodecylsulfanylpentadecanoylamino)undecanoylamino]ethanoic acid Openeye Name: 2-[11-(15-dodecylsulfanylpentadecanoylamino)undecanoylamino]acetic acid CAS Name: 2-[[11-[[15-(dodecylthio)-1-oxopentadecyl]amino]-1-oxoundecyl]amino]acetic acid IUPAC Name: 2-[11-(15-dodecylsulfanylpentadecanoylamino)undecanoylamino]acetic acid Traditional Name: 2-[11-[15-(laurylthio)pentadecanoylamino]undecanoylamino]acetic acid Formula: C40H78N2O4S MolecularWeight: 683.12332

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCSCCCCCCCCCCCCCCC(=O)NCCCCCCCCCCC(=O)NCC(=O)O

Isomeric SMILES

CCCCCCCCCCCCSCCCCCCCCCCCCCCC(=O)NCCCCCCCCCCC(=O)NCC(=O)O

InChI

InChI=1S/C40H78N2O4S/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)