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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H21NO3S/c1-10-4-5-11(2)13(8-10)18-6-3-7-19-9-12(15)14(16)17/h4-5,8,12H,3,6-7,9,15H2,1-2H3,(H,16,17)