2-azanyl-3-[3-(3,5-dimethylphenoxy)propylsulfanyl]propanoic acid

Systemtic Name: 2-azanyl-3-[3-(3,5-dimethylphenoxy)propylsulfanyl]propanoic acid Openeye Name: 2-amino-3-[3-(3,5-dimethylphenoxy)propylsulfanyl]propanoic acid CAS Name: 2-amino-3-[3-(3,5-dimethylphenoxy)propylthio]propanoic acid IUPAC Name: 2-amino-3-[3-(3,5-dimethylphenoxy)propylsulfanyl]propanoic acid Traditional Name: 2-amino-3-[3-(3,5-dimethylphenoxy)propylthio]propionic acid Formula: C14H21NO3S MolecularWeight: 283.38644

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)OCCCSCC(C(=O)O)N)C

Isomeric SMILES

CC1=CC(=CC(=C1)OCCCSCC(C(=O)O)N)C

InChI

InChI=1S/C14H21NO3S/c1-10-6-11(2)8-12(7-10)18-4-3-5-19-9-13(15)14(16)17/h6-8,13H,3-5,9,15H2,1-2H3,(H,16,17)