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

Systemtic Name: 2-azanyl-3-[2-(3,5-dimethylphenoxy)ethylsulfanyl]propanoic acid Openeye Name: 2-amino-3-[2-(3,5-dimethylphenoxy)ethylsulfanyl]propanoic acid CAS Name: 2-amino-3-[2-(3,5-dimethylphenoxy)ethylthio]propanoic acid IUPAC Name: 2-amino-3-[2-(3,5-dimethylphenoxy)ethylsulfanyl]propanoic acid Traditional Name: 2-amino-3-[2-(3,5-dimethylphenoxy)ethylthio]propionic acid Formula: C13H19NO3S MolecularWeight: 269.35986

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H19NO3S/c1-9-5-10(2)7-11(6-9)17-3-4-18-8-12(14)13(15)16/h5-7,12H,3-4,8,14H2,1-2H3,(H,15,16)