2-azanyl-3-[2-(3-methyl-4-propan-2-yl-phenoxy)ethylsulfanyl]propanoic acid

Systemtic Name: 2-azanyl-3-[2-(3-methyl-4-propan-2-yl-phenoxy)ethylsulfanyl]propanoic acid Openeye Name: 2-amino-3-[2-(4-isopropyl-3-methyl-phenoxy)ethylsulfanyl]propanoic acid CAS Name: 2-amino-3-[2-(3-methyl-4-propan-2-ylphenoxy)ethylthio]propanoic acid IUPAC Name: 2-amino-3-[2-(3-methyl-4-propan-2-ylphenoxy)ethylsulfanyl]propanoic acid Traditional Name: 2-amino-3-[2-(4-isopropyl-3-methyl-phenoxy)ethylthio]propionic acid Formula: C15H23NO3S MolecularWeight: 297.41302

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H23NO3S/c1-10(2)13-5-4-12(8-11(13)3)19-6-7-20-9-14(16)15(17)18/h4-5,8,10,14H,6-7,9,16H2,1-3H3,(H,17,18)