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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H19NO3S/c1-9-3-4-10(2)12(7-9)17-5-6-18-8-11(14)13(15)16/h3-4,7,11H,5-6,8,14H2,1-2H3,(H,15,16)