3-[4-(2-butylsulfanylethoxy)phenyl]-2-(2-butylsulfanylethylamino)propanoic acid

Systemtic Name: 3-[4-(2-butylsulfanylethoxy)phenyl]-2-(2-butylsulfanylethylamino)propanoic acid Openeye Name: 3-[4-(2-butylsulfanylethoxy)phenyl]-2-(2-butylsulfanylethylamino)propanoic acid CAS Name: 3-[4-[2-(butylthio)ethoxy]phenyl]-2-[2-(butylthio)ethylamino]propanoic acid IUPAC Name: 3-[4-(2-butylsulfanylethoxy)phenyl]-2-(2-butylsulfanylethylamino)propanoic acid Traditional Name: 3-[4-[2-(butylthio)ethoxy]phenyl]-2-[2-(butylthio)ethylamino]propionic acid Formula: C21H35NO3S2 MolecularWeight: 413.6375

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSCCNC(CC1=CC=C(C=C1)OCCSCCCC)C(=O)O

Isomeric SMILES

CCCCSCCNC(CC1=CC=C(C=C1)OCCSCCCC)C(=O)O

InChI

InChI=1S/C21H35NO3S2/c1-3-5-13-26-15-11-22-20(21(23)24)17-18-7-9-19(10-8-18)25-12-16-27-14-6-4-2/h7-10,20,22H,3-6,11-17H2,1-2H3,(H,23,24)